6-heptyl-5-hydroxy-1-octylpiperidin-2-one

C20H39NO2 — CID 54058296

IUPAC6-heptyl-5-hydroxy-1-octylpiperidin-2-one
SMILESCCCCCCCCN1C(=O)CCC(O)C1CCCCCCC
InChIInChI=1S/C20H39NO2/c1-3-5-7-9-11-13-17-21-18(14-12-10-8-6-4-2)19(22)15-16-20(21)23/h18-19,22H,3-17H2,1-2H3
InChIKeyLXVVFXKIAOPCLX-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.06
Rot. Bonds13

About 6-heptyl-5-hydroxy-1-octylpiperidin-2-one

6-heptyl-5-hydroxy-1-octylpiperidin-2-one (PubChem CID 54058296) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 6-heptyl-5-hydroxy-1-octylpiperidin-2-one.

Molecular Properties

Compound Name6-heptyl-5-hydroxy-1-octylpiperidin-2-one
PubChem CID54058296
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name6-heptyl-5-hydroxy-1-octylpiperidin-2-one
SMILESCCCCCCCCN1C(=O)CCC(O)C1CCCCCCC
InChIInChI=1S/C20H39NO2/c1-3-5-7-9-11-13-17-21-18(14-12-10-8-6-4-2)19(22)15-16-20(21)23/h18-19,22H,3-17H2,1-2H3
InChIKeyLXVVFXKIAOPCLX-UHFFFAOYSA-N
XLogP5.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Dodecanone, 12-(5-hydroxy-1,6-dimethyl-2-piperidinyl)-, (2S-(2alpha,5alpha,6alpha))-
CID 156624
4-(12-Hydroxystearoyl)morpholine
CID 85832757
(4S)-4-hydroxy-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]octan-1-one
CID 164638526
Hydroxycetyl hydroxyethylstearamide
CID 19982433
(6S)-6-[(1S)-1-hydroxypropyl]-1-methoxypiperidin-2-one
CID 101497217
(3R,8S,8aS)-3-ethyl-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134969996
(6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one
CID 135080249
2-Tetradecanone, 14-[5-hydroxy-1,6-dimethyl-2-piperidinyl]-
CID 581787
2-Hydroxy-1-piperidin-1-ylundecan-1-one
CID 14913073
3-Piperidinol, 1-acetyl-6-propyl-, (3R-trans)-
CID 91691684
1-[2-(1-Hydroxyundecyl)piperidin-1-yl]ethanone
CID 9861033
7-[2-(3-Hydroxyoctyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 9975509

Frequently Asked Questions

What is the IUPAC name of 6-heptyl-5-hydroxy-1-octylpiperidin-2-one?
The IUPAC name of 6-heptyl-5-hydroxy-1-octylpiperidin-2-one (CID 54058296) is 6-heptyl-5-hydroxy-1-octylpiperidin-2-one.
What is the SMILES notation for 6-heptyl-5-hydroxy-1-octylpiperidin-2-one?
The canonical SMILES for 6-heptyl-5-hydroxy-1-octylpiperidin-2-one is CCCCCCCCN1C(=O)CCC(O)C1CCCCCCC.
What is the InChIKey of 6-heptyl-5-hydroxy-1-octylpiperidin-2-one?
The InChIKey is LXVVFXKIAOPCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-5-7-9-11-13-17-21-18(14-12-10-8-6-4-2)19(22)15-16-20(21)23/h18-19,22H,3-17H2,1-2H3.
What are the key properties of 6-heptyl-5-hydroxy-1-octylpiperidin-2-one?
6-heptyl-5-hydroxy-1-octylpiperidin-2-one has a molecular weight of 325.54 g/mol, XLogP of 5.06, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptyl-5-hydroxy-1-octylpiperidin-2-one is sourced from PubChem (CID 54058296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).