1-phenyl-4-(pyridin-2-ylmethyl)piperazine

C16H19N3 — CID 1090338

IUPAC1-phenyl-4-(pyridin-2-ylmethyl)piperazine
SMILESc1ccc(N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C16H19N3/c1-2-7-16(8-3-1)19-12-10-18(11-13-19)14-15-6-4-5-9-17-15/h1-9H,10-14H2
InChIKeyZMVISOZQULIKLE-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.40
Rot. Bonds3

About 1-phenyl-4-(pyridin-2-ylmethyl)piperazine

1-phenyl-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 1090338) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-phenyl-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(pyridin-2-ylmethyl)piperazine
PubChem CID1090338
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-phenyl-4-(pyridin-2-ylmethyl)piperazine
SMILESc1ccc(N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C16H19N3/c1-2-7-16(8-3-1)19-12-10-18(11-13-19)14-15-6-4-5-9-17-15/h1-9H,10-14H2
InChIKeyZMVISOZQULIKLE-UHFFFAOYSA-N
XLogP2.40
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-pyridinyl]methanol
CID 131914452
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
CID 2912739
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90507607
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 171149738
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
2-chloro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzonitrile
CID 71978279
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 171327392
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
CID 141118579
1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 16576279

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-phenyl-4-(pyridin-2-ylmethyl)piperazine (CID 1090338) is 1-phenyl-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-phenyl-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-phenyl-4-(pyridin-2-ylmethyl)piperazine is c1ccc(N2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is ZMVISOZQULIKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-7-16(8-3-1)19-12-10-18(11-13-19)14-15-6-4-5-9-17-15/h1-9H,10-14H2.
What are the key properties of 1-phenyl-4-(pyridin-2-ylmethyl)piperazine?
1-phenyl-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 253.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 1090338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).