(6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one

C20H39NO3 — CID 58804757

IUPAC(6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one
SMILESCCCCCC(O)CC[C@H]1CCCC(=O)N1CCCCCCCO
InChIInChI=1S/C20H39NO3/c1-2-3-7-12-19(23)15-14-18-11-10-13-20(24)21(18)16-8-5-4-6-9-17-22/h18-19,22-23H,2-17H2,1H3/t18-,19?/m1/s1
InChIKeyNTLLGLNAGFDFRD-MRTLOADZSA-N
MW341.54 g/mol
LogP4.03
Rot. Bonds14

About (6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one

(6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one (PubChem CID 58804757) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is (6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one.

Molecular Properties

Compound Name(6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one
PubChem CID58804757
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name(6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one
SMILESCCCCCC(O)CC[C@H]1CCCC(=O)N1CCCCCCCO
InChIInChI=1S/C20H39NO3/c1-2-3-7-12-19(23)15-14-18-11-10-13-20(24)21(18)16-8-5-4-6-9-17-22/h18-19,22-23H,2-17H2,1H3/t18-,19?/m1/s1
InChIKeyNTLLGLNAGFDFRD-MRTLOADZSA-N
XLogP4.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dibutyl-12-hydroxyoctadecan-1-amide
CID 85969
2-Dodecanone, 12-(5-hydroxy-1,6-dimethyl-2-piperidinyl)-, (2S-(2alpha,5alpha,6alpha))-
CID 156624
4-(12-Hydroxystearoyl)morpholine
CID 85832757
(6R)-6-[(3R)-3-hydroxyheptyl]piperidin-2-one
CID 25258793
(6S)-6-[(1S)-1-hydroxypropyl]-1-methoxypiperidin-2-one
CID 101497217
(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
7-[2-(3-Hydroxyoctyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 9975509
7-[2-(3-Hydroxy-octyl)-6-oxo-piperidin-1-yl]-heptanoic acid methyl ester
CID 10044613
7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 11210470
7-[(R)-2-(3-Hydroxy-octyl)-6-oxo-piperidin-1-yl]-heptanoic acid methyl ester
CID 11406036

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one?
The IUPAC name of (6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one (CID 58804757) is (6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one.
What is the SMILES notation for (6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one?
The canonical SMILES for (6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one is CCCCCC(O)CC[C@H]1CCCC(=O)N1CCCCCCCO.
What is the InChIKey of (6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one?
The InChIKey is NTLLGLNAGFDFRD-MRTLOADZSA-N. The full InChI is InChI=1S/C20H39NO3/c1-2-3-7-12-19(23)15-14-18-11-10-13-20(24)21(18)16-8-5-4-6-9-17-22/h18-19,22-23H,2-17H2,1H3/t18-,19?/m1/s1.
What are the key properties of (6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one?
(6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one has a molecular weight of 341.54 g/mol, XLogP of 4.03, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one is sourced from PubChem (CID 58804757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).