[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol

C14H22N2O — CID 117024926

IUPAC[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
SMILESCC1(C)CN(Cc2cccnc2)CCC1CO
InChIInChI=1S/C14H22N2O/c1-14(2)11-16(7-5-13(14)10-17)9-12-4-3-6-15-8-12/h3-4,6,8,13,17H,5,7,9-11H2,1-2H3
InChIKeyGZYVDFYUSSNPQU-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.92
Rot. Bonds3

About [3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol

[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol (PubChem CID 117024926) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
PubChem CID117024926
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
SMILESCC1(C)CN(Cc2cccnc2)CCC1CO
InChIInChI=1S/C14H22N2O/c1-14(2)11-16(7-5-13(14)10-17)9-12-4-3-6-15-8-12/h3-4,6,8,13,17H,5,7,9-11H2,1-2H3
InChIKeyGZYVDFYUSSNPQU-UHFFFAOYSA-N
XLogP1.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
[8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921973
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 114510870
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
[(4S,9aS)-2-benzyl-4-methyl-8-(pyridin-3-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-yl]methanol
CID 124877798
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
[3-(3-methylsulfanylpropyl)-9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol
CID 74237404
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
1-[(9aS)-4,4-dimethyl-8-(pyridin-3-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
CID 124875248
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol (CID 117024926) is [3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol is CC1(C)CN(Cc2cccnc2)CCC1CO.
What is the InChIKey of [3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is GZYVDFYUSSNPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)11-16(7-5-13(14)10-17)9-12-4-3-6-15-8-12/h3-4,6,8,13,17H,5,7,9-11H2,1-2H3.
What are the key properties of [3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol?
[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 117024926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).