[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol

C25H43NO2 — CID 11165190

IUPAC[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol
SMILESCCCCCCCCCCCC[C@@H]1CC[C@@H](OCc2ccccc2)[C@H](CO)N1
InChIInChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-14-17-23-18-19-25(24(20-27)26-23)28-21-22-15-12-11-13-16-22/h11-13,15-16,23-27H,2-10,14,17-21H2,1H3/t23-,24+,25-/m1/s1
InChIKeySKDKFAZRIDRPCO-DSNGMDLFSA-N
MW389.62 g/mol
LogP6.00
Rot. Bonds15

About [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol

[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol (PubChem CID 11165190) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol
PubChem CID11165190
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol
SMILESCCCCCCCCCCCC[C@@H]1CC[C@@H](OCc2ccccc2)[C@H](CO)N1
InChIInChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-14-17-23-18-19-25(24(20-27)26-23)28-21-22-15-12-11-13-16-22/h11-13,15-16,23-27H,2-10,14,17-21H2,1H3/t23-,24+,25-/m1/s1
InChIKeySKDKFAZRIDRPCO-DSNGMDLFSA-N
XLogP6.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol
CID 167117714
[(2S,3S)-3-[(4-octylphenyl)methoxy]pyrrolidin-2-yl]methanol
CID 72704518
(2R,3S,4R,5R,6R)-2-benzyl-6-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3S,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol;(2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidine-3,4,5-triol
CID 161473437
(2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane
CID 101334126
(3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one
CID 10467157
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
2-hexyl-6-phenylpiperidine
CID 102584089
(2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane
CID 134843487
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
1-butyl-2-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 175678790
(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one
CID 10353943
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol?
The IUPAC name of [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol (CID 11165190) is [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol.
What is the SMILES notation for [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol?
The canonical SMILES for [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol is CCCCCCCCCCCC[C@@H]1CC[C@@H](OCc2ccccc2)[C@H](CO)N1.
What is the InChIKey of [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol?
The InChIKey is SKDKFAZRIDRPCO-DSNGMDLFSA-N. The full InChI is InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-14-17-23-18-19-25(24(20-27)26-23)28-21-22-15-12-11-13-16-22/h11-13,15-16,23-27H,2-10,14,17-21H2,1H3/t23-,24+,25-/m1/s1.
What are the key properties of [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol?
[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol has a molecular weight of 389.62 g/mol, XLogP of 6.00, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol is sourced from PubChem (CID 11165190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).