[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine

C17H22N4 — CID 107541545

IUPAC[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4/c18-13-16-6-9-19-17(20-16)21-10-7-15(8-11-21)12-14-4-2-1-3-5-14/h1-6,9,15H,7-8,10-13,18H2
InChIKeyJPHUTGKDOQFLBD-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.39
Rot. Bonds4

About [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine

[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 107541545) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
PubChem CID107541545
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4/c18-13-16-6-9-19-17(20-16)21-10-7-15(8-11-21)12-14-4-2-1-3-5-14/h1-6,9,15H,7-8,10-13,18H2
InChIKeyJPHUTGKDOQFLBD-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
CID 112900795
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine
CID 112900822
[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542226
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66456001
4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 112900751
2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 112894699
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109302082
[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62751684

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine (CID 107541545) is [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine is NCc1ccnc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is JPHUTGKDOQFLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c18-13-16-6-9-19-17(20-16)21-10-7-15(8-11-21)12-14-4-2-1-3-5-14/h1-6,9,15H,7-8,10-13,18H2.
What are the key properties of [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107541545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).