5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine

C16H19N3 — CID 143624917

IUPAC5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine
SMILESc1cc(CC2CCCCN2)cc(-c2cncnc2)c1
InChIInChI=1S/C16H19N3/c1-2-7-19-16(6-1)9-13-4-3-5-14(8-13)15-10-17-12-18-11-15/h3-5,8,10-12,16,19H,1-2,6-7,9H2
InChIKeyCUSPFFHSWNUFQR-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.83
Rot. Bonds3

About 5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine

5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine (PubChem CID 143624917) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine
PubChem CID143624917
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine
SMILESc1cc(CC2CCCCN2)cc(-c2cncnc2)c1
InChIInChI=1S/C16H19N3/c1-2-7-19-16(6-1)9-13-4-3-5-14(8-13)15-10-17-12-18-11-15/h3-5,8,10-12,16,19H,1-2,6-7,9H2
InChIKeyCUSPFFHSWNUFQR-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
CID 166362211
2-[(3-methylsulfanylphenyl)methyl]piperidine
CID 117317206
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
CID 117118064
2-[(4-methoxy-3-phenylphenyl)methyl]piperidine
CID 117451820
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
N-[3-(azepan-2-ylmethyl)phenyl]acetamide
CID 70141371
6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307

Frequently Asked Questions

What is the IUPAC name of 5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine?
The IUPAC name of 5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine (CID 143624917) is 5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine?
The canonical SMILES for 5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine is c1cc(CC2CCCCN2)cc(-c2cncnc2)c1.
What is the InChIKey of 5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine?
The InChIKey is CUSPFFHSWNUFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-7-19-16(6-1)9-13-4-3-5-14(8-13)15-10-17-12-18-11-15/h3-5,8,10-12,16,19H,1-2,6-7,9H2.
What are the key properties of 5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine?
5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine has a molecular weight of 253.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine is sourced from PubChem (CID 143624917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).