[3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol

C14H22N2O — CID 72847821

IUPAC[3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(c2ccnc(C)c2)C1
InChIInChI=1S/C14H22N2O/c1-3-14(11-17)6-4-8-16(10-14)13-5-7-15-12(2)9-13/h5,7,9,17H,3-4,6,8,10-11H2,1-2H3
InChIKeyVVZRULSSBZNKQF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.38
Rot. Bonds3

About [3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol

[3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol (PubChem CID 72847821) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol
PubChem CID72847821
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(c2ccnc(C)c2)C1
InChIInChI=1S/C14H22N2O/c1-3-14(11-17)6-4-8-16(10-14)13-5-7-15-12(2)9-13/h5,7,9,17H,3-4,6,8,10-11H2,1-2H3
InChIKeyVVZRULSSBZNKQF-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-1-(2-methyl-4-pyridinyl)piperidine-3-carboxamide
CID 128964534
3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol
CID 104924644
(3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid
CID 97140737
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393
[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56911992
1-(2-carbamoyl-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136488
[(3R)-3-ethyl-1-(6-ethyl-5-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 97145478
4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine
CID 130736594
1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136435
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70720563
[(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97145143
1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane
CID 91782484

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol?
The IUPAC name of [3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol (CID 72847821) is [3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol is CCC1(CO)CCCN(c2ccnc(C)c2)C1.
What is the InChIKey of [3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol?
The InChIKey is VVZRULSSBZNKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-14(11-17)6-4-8-16(10-14)13-5-7-15-12(2)9-13/h5,7,9,17H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of [3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol?
[3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72847821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).