(2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol

C18H37NO2 — CID 100961122

IUPAC(2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol
SMILESC[C@@H]1N[C@H](CCCCCCCCCCCCO)CC[C@@H]1O
InChIInChI=1S/C18H37NO2/c1-16-18(21)14-13-17(19-16)12-10-8-6-4-2-3-5-7-9-11-15-20/h16-21H,2-15H2,1H3/t16-,17+,18-/m0/s1
InChIKeyMKFVHOZHTXBXCX-KSZLIROESA-N
MW299.50 g/mol
LogP3.77
Rot. Bonds12

About (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol

(2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol (PubChem CID 100961122) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol
PubChem CID100961122
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name(2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol
SMILESC[C@@H]1N[C@H](CCCCCCCCCCCCO)CC[C@@H]1O
InChIInChI=1S/C18H37NO2/c1-16-18(21)14-13-17(19-16)12-10-8-6-4-2-3-5-7-9-11-15-20/h16-21H,2-15H2,1H3/t16-,17+,18-/m0/s1
InChIKeyMKFVHOZHTXBXCX-KSZLIROESA-N
XLogP3.77
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol 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

12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
CID 11130276
(2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol
CID 162990580
(2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol
CID 11790065
(Z)-14-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]-2-[10-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]decyl]tetradec-2-enal
CID 11226973
(2R,3R,6R)-6-[10-[(8R,8aS)-6-[10-[(2R,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]decyl]-1,2,3,5,8,8a-hexahydroindolizin-8-yl]decyl]-2-methylpiperidin-3-ol;dihydrochloride
CID 25207978
6-[10-[8-[10-(5-hydroxy-6-methylpiperidin-2-yl)decyl]-2,3-dihydro-1H-indolizin-4-ium-6-yl]decyl]-2-methylpiperidin-3-ol
CID 14335261
(2R,3R,6S)-6-[10-[8-[10-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]decyl]-2,3-dihydro-1H-indolizin-4-ium-6-yl]decyl]-2-methylpiperidin-3-ol
CID 14335265
(2S,3S,6R)-6-[10-[8-[10-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]decyl]-1H-indolizin-4-ium-6-yl]decyl]-2-methylpiperidin-3-ol
CID 102153657
14-[5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one
CID 72829813
2-[5-(2-hydroxyethyl)pyrrolidin-2-yl]ethanol
CID 123879549
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
4-[(2S)-aziridin-2-yl]butan-1-ol
CID 99770578

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol?
The IUPAC name of (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol (CID 100961122) is (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol.
What is the SMILES notation for (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol?
The canonical SMILES for (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol is C[C@@H]1N[C@H](CCCCCCCCCCCCO)CC[C@@H]1O.
What is the InChIKey of (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol?
The InChIKey is MKFVHOZHTXBXCX-KSZLIROESA-N. The full InChI is InChI=1S/C18H37NO2/c1-16-18(21)14-13-17(19-16)12-10-8-6-4-2-3-5-7-9-11-15-20/h16-21H,2-15H2,1H3/t16-,17+,18-/m0/s1.
What are the key properties of (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol?
(2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol has a molecular weight of 299.50 g/mol, XLogP of 3.77, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol is sourced from PubChem (CID 100961122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).