1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol

C12H22N2O — CID 143016122

IUPAC1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol
SMILESCC1NCC=CC1C1(O)CCN(C)CC1
InChIInChI=1S/C12H22N2O/c1-10-11(4-3-7-13-10)12(15)5-8-14(2)9-6-12/h3-4,10-11,13,15H,5-9H2,1-2H3
InChIKeyKGRKXVNAWGOEKA-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.61
Rot. Bonds1

About 1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol

1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol (PubChem CID 143016122) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol
PubChem CID143016122
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol
SMILESCC1NCC=CC1C1(O)CCN(C)CC1
InChIInChI=1S/C12H22N2O/c1-10-11(4-3-7-13-10)12(15)5-8-14(2)9-6-12/h3-4,10-11,13,15H,5-9H2,1-2H3
InChIKeyKGRKXVNAWGOEKA-UHFFFAOYSA-N
XLogP0.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-4-cyclohexa-2,4-dien-1-yl-3,5-dimethylpiperidin-4-ol
CID 68311904
4-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 89025215
4-Cyclohexa-2,4-dien-1-ylpiperidin-4-ol
CID 89109775
1,4-Dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol
CID 167165117
(2R,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7200586
(2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7200588
(2R,4S,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7200590
(2S,4S,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7200592
(3R,4R)-1,3-dimethyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7320634
(3S,4R)-1,3-dimethyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7320636
2,3,4,5,8,8a-hexahydro-1H-isoquinolin-4a-ol
CID 12228918
2-methyl-1,3,4,5,8,8a-hexahydro-4a(2H)-isoquinolinol
CID 12228919

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol?
The IUPAC name of 1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol (CID 143016122) is 1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol?
The canonical SMILES for 1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol is CC1NCC=CC1C1(O)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol?
The InChIKey is KGRKXVNAWGOEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-11(4-3-7-13-10)12(15)5-8-14(2)9-6-12/h3-4,10-11,13,15H,5-9H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol?
1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol has a molecular weight of 210.32 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperidin-4-ol is sourced from PubChem (CID 143016122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).