(2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol

C18H37NO2 — CID 162990580

IUPAC(2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol
SMILESCC[C@H](O)CCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1
InChIInChI=1S/C18H37NO2/c1-3-17(20)12-10-8-6-4-5-7-9-11-16-13-14-18(21)15(2)19-16/h15-21H,3-14H2,1-2H3/t15-,16+,17+,18-/m1/s1
InChIKeyDYCBLHSQHWHJPL-VSZNYVQBSA-N
MW299.50 g/mol
LogP3.77
Rot. Bonds11

About (2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol

(2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol (PubChem CID 162990580) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is (2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol
PubChem CID162990580
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name(2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol
SMILESCC[C@H](O)CCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1
InChIInChI=1S/C18H37NO2/c1-3-17(20)12-10-8-6-4-5-7-9-11-16-13-14-18(21)15(2)19-16/h15-21H,3-14H2,1-2H3/t15-,16+,17+,18-/m1/s1
InChIKeyDYCBLHSQHWHJPL-VSZNYVQBSA-N
XLogP3.77
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
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'}

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Related Compounds

(2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol
CID 100961122
(2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol
CID 11790065
12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
CID 11130276
8-cyclopent-3-en-1-yloctan-3-ol
CID 142087297
(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
(3R,6S,10R)-3,10-dihydroxy-6-(hydroxymethyl)-12-[(2R,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecanoic acid
CID 162978159
(3R,10R,11R)-3,10-dihydroxy-11-[[(2S,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]methyl]-13-oxotridecanoic acid
CID 162932319
(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
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
(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
(2S,3R,5S)-5-[(5S)-5-hydroxyoctyl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ol
CID 42608374
(2R,3S,4aR,5R,8aS)-5-[(5S)-5-hydroxyoctyl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ol
CID 162914030

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol?
The IUPAC name of (2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol (CID 162990580) is (2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol.
What is the SMILES notation for (2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol?
The canonical SMILES for (2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol is CC[C@H](O)CCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1.
What is the InChIKey of (2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol?
The InChIKey is DYCBLHSQHWHJPL-VSZNYVQBSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-17(20)12-10-8-6-4-5-7-9-11-16-13-14-18(21)15(2)19-16/h15-21H,3-14H2,1-2H3/t15-,16+,17+,18-/m1/s1.
What are the key properties of (2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol?
(2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol has a molecular weight of 299.50 g/mol, XLogP of 3.77, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol is sourced from PubChem (CID 162990580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).