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17810-24-1 | 4-Piperidinol, 1,2,5-trimethyl-4-(3-methyl-3-buten-1-yn-1-yl)-
CAS No: 17810-24-1 Catalog No: AG0025RY MDL No:
Product Description
Catalog Number:
AG0025RY
Chemical Name:
4-Piperidinol, 1,2,5-trimethyl-4-(3-methyl-3-buten-1-yn-1-yl)-
CAS Number:
17810-24-1
Molecular Formula:
C13H21NO
Molecular Weight:
207.3119
IUPAC Name:
1,2,5-trimethyl-4-(3-methylbut-3-en-1-ynyl)piperidin-4-ol
InChI:
InChI=1S/C13H21NO/c1-10(2)6-7-13(15)8-12(4)14(5)9-11(13)3/h11-12,15H,1,8-9H2,2-5H3
InChI Key:
NAIPIDCWTFVULS-UHFFFAOYSA-N
SMILES:
CN1CC(C)C(CC1C)(O)C#CC(=C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.317g/mol
Monoisotopic Mass:
207.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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