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1016167-99-9 | Carbamic acid, N-[(3S)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester
CAS No: 1016167-99-9 Catalog No: AG0004Z2 MDL No:MFCD03093385
Product Description
Catalog Number:
AG0004Z2
Chemical Name:
Carbamic acid, N-[(3S)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester
CAS Number:
1016167-99-9
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD03093385
IUPAC Name:
tert-butyl N-[[(3S)-piperidin-3-yl]methyl]carbamate
InChI:
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChI Key:
KHPQHXGYYXYTDN-VIFPVBQESA-N
SMILES:
O=C(OC(C)(C)C)NC[C@H]1CCCNC1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.168g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.309g/mol
Monoisotopic Mass:
214.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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