[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol

C14H23N3O — CID 116976091

IUPAC[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCC(C)Cc1cnc(N2CCC(CO)CC2)nc1
InChIInChI=1S/C14H23N3O/c1-11(2)7-13-8-15-14(16-9-13)17-5-3-12(10-18)4-6-17/h8-9,11-12,18H,3-7,10H2,1-2H3
InChIKeyJKBVULPXPXCKEB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.88
Rot. Bonds4

About [1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol

[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 116976091) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID116976091
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCC(C)Cc1cnc(N2CCC(CO)CC2)nc1
InChIInChI=1S/C14H23N3O/c1-11(2)7-13-8-15-14(16-9-13)17-5-3-12(10-18)4-6-17/h8-9,11-12,18H,3-7,10H2,1-2H3
InChIKeyJKBVULPXPXCKEB-UHFFFAOYSA-N
XLogP1.88
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol (CID 116976091) is [1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol is CC(C)Cc1cnc(N2CCC(CO)CC2)nc1.
What is the InChIKey of [1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is JKBVULPXPXCKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)7-13-8-15-14(16-9-13)17-5-3-12(10-18)4-6-17/h8-9,11-12,18H,3-7,10H2,1-2H3.
What are the key properties of [1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 116976091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).