6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol

C15H30N2O2 — CID 168942826

IUPAC6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CC(C)(O)CCC1C1CC(O)CCN1C
InChIInChI=1S/C15H30N2O2/c1-11(2)17-10-15(3,19)7-5-13(17)14-9-12(18)6-8-16(14)4/h11-14,18-19H,5-10H2,1-4H3
InChIKeyDQQXRYRPXDNMQZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.07
Rot. Bonds2

About 6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol

6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol (PubChem CID 168942826) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol
PubChem CID168942826
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CC(C)(O)CCC1C1CC(O)CCN1C
InChIInChI=1S/C15H30N2O2/c1-11(2)17-10-15(3,19)7-5-13(17)14-9-12(18)6-8-16(14)4/h11-14,18-19H,5-10H2,1-4H3
InChIKeyDQQXRYRPXDNMQZ-UHFFFAOYSA-N
XLogP1.07
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 170263057
bis(3-methyl-1-propan-2-ylazetidin-3-ol);bis((3S)-3-methyl-1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidine;bis((3S)-1-propan-2-ylpyrrolidin-3-ol)
CID 167683219
1-[(3S,4aS,6R,8aR)-6-hydroxy-2,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-3-yl]ethanone
CID 58845241
3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 165498565
1,2-di(propan-2-yl)cyclohexane-1,4-diol
CID 174428698
1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol
CID 70350991
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine
CID 142483448
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
3-methyl-1,2-di(propan-2-yl)piperidin-3-ol
CID 171756100
3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol
CID 165497273

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of 6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol (CID 168942826) is 6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for 6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for 6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol is CC(C)N1CC(C)(O)CCC1C1CC(O)CCN1C.
What is the InChIKey of 6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol?
The InChIKey is DQQXRYRPXDNMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)17-10-15(3,19)7-5-13(17)14-9-12(18)6-8-16(14)4/h11-14,18-19H,5-10H2,1-4H3.
What are the key properties of 6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol?
6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol has a molecular weight of 270.42 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 168942826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).