4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine

C16H18ClN3 — CID 110270807

IUPAC4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
SMILESClc1cccc(CN2CCCCC2c2ccncn2)c1
InChIInChI=1S/C16H18ClN3/c17-14-5-3-4-13(10-14)11-20-9-2-1-6-16(20)15-7-8-18-12-19-15/h3-5,7-8,10,12,16H,1-2,6,9,11H2
InChIKeyAUELQCJDFPNPQM-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.86
Rot. Bonds3

About 4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine

4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine (PubChem CID 110270807) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
PubChem CID110270807
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
SMILESClc1cccc(CN2CCCCC2c2ccncn2)c1
InChIInChI=1S/C16H18ClN3/c17-14-5-3-4-13(10-14)11-20-9-2-1-6-16(20)15-7-8-18-12-19-15/h3-5,7-8,10,12,16H,1-2,6,9,11H2
InChIKeyAUELQCJDFPNPQM-UHFFFAOYSA-N
XLogP3.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
CID 127244845
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
CID 124986639
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 124953340
4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244796
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171
4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 125016297
4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine
CID 124971540

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine?
The IUPAC name of 4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine (CID 110270807) is 4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine?
The canonical SMILES for 4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine is Clc1cccc(CN2CCCCC2c2ccncn2)c1.
What is the InChIKey of 4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine?
The InChIKey is AUELQCJDFPNPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-14-5-3-4-13(10-14)11-20-9-2-1-6-16(20)15-7-8-18-12-19-15/h3-5,7-8,10,12,16H,1-2,6,9,11H2.
What are the key properties of 4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine?
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine has a molecular weight of 287.79 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine is sourced from PubChem (CID 110270807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).