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100696-05-7 | Cyclohexanol, 2-(4-methyl-1-piperazinyl)-, (1R,2R)-rel-
CAS No: 100696-05-7 Catalog No: AG0002NF MDL No:
Product Description
Catalog Number:
AG0002NF
Chemical Name:
Cyclohexanol, 2-(4-methyl-1-piperazinyl)-, (1R,2R)-rel-
CAS Number:
100696-05-7
Molecular Formula:
C11H22N2O
Molecular Weight:
198.3052
IUPAC Name:
2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
InChI:
InChI=1S/C11H22N2O/c1-12-6-8-13(9-7-12)10-4-2-3-5-11(10)14/h10-11,14H,2-9H2,1H3
InChI Key:
XNPIZFXPYIILPL-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)[C@@H]1CCCC[C@H]1O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.173g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.31g/mol
Monoisotopic Mass:
198.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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