[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone

C15H22N2O — CID 174877965

IUPAC[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone
SMILESCC(C)CN1CCC(C(=O)c2ccncc2)CC1
InChIInChI=1S/C15H22N2O/c1-12(2)11-17-9-5-14(6-10-17)15(18)13-3-7-16-8-4-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3
InChIKeyVELHXTREAUQEBI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.63
Rot. Bonds4

About [1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone

[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone (PubChem CID 174877965) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone
PubChem CID174877965
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone
SMILESCC(C)CN1CCC(C(=O)c2ccncc2)CC1
InChIInChI=1S/C15H22N2O/c1-12(2)11-17-9-5-14(6-10-17)15(18)13-3-7-16-8-4-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3
InChIKeyVELHXTREAUQEBI-UHFFFAOYSA-N
XLogP2.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
3-[1-(2-methylpropyl)piperidin-4-yl]-3-oxopropanenitrile
CID 174621646
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 78903776
(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone
CID 136524982
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
N,N-dimethyl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 59603411
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
(4-fluorophenyl)-[1-[2-(4-propan-2-ylphenyl)-2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanone;trihydrochloride
CID 23503581
cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone
CID 162643335

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone?
The IUPAC name of [1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone (CID 174877965) is [1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone is CC(C)CN1CCC(C(=O)c2ccncc2)CC1.
What is the InChIKey of [1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone?
The InChIKey is VELHXTREAUQEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)11-17-9-5-14(6-10-17)15(18)13-3-7-16-8-4-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone?
[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone has a molecular weight of 246.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 174877965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).