1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine

C25H29N3 — CID 86201400

IUPAC1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine
SMILESc1ccc(CN2CCN(CCC(c3ccccc3)c3ccccn3)CC2)cc1
InChIInChI=1S/C25H29N3/c1-3-9-22(10-4-1)21-28-19-17-27(18-20-28)16-14-24(23-11-5-2-6-12-23)25-13-7-8-15-26-25/h1-13,15,24H,14,16-21H2
InChIKeyHFYPMTKSRDBLLA-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.42
Rot. Bonds7

About 1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine

1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine (PubChem CID 86201400) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine
PubChem CID86201400
Molecular FormulaC25H29N3
Molecular Weight371.53 g/mol
Exact Mass371.24
IUPAC Name1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine
SMILESc1ccc(CN2CCN(CCC(c3ccccc3)c3ccccn3)CC2)cc1
InChIInChI=1S/C25H29N3/c1-3-9-22(10-4-1)21-28-19-17-27(18-20-28)16-14-24(23-11-5-2-6-12-23)25-13-7-8-15-26-25/h1-13,15,24H,14,16-21H2
InChIKeyHFYPMTKSRDBLLA-UHFFFAOYSA-N
XLogP4.42
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
CID 23723096
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
2-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 19370276
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[(4-chlorophenyl)-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-ylmethyl)piperazine
CID 157420167
1-benzyl-4-[3-(4-chlorophenyl)-3-phenylpropyl]piperazine;bis((Z)-but-2-enedioic acid)
CID 6436573
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
CID 25164681
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
CID 6954515
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride
CID 50987098

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine?
The IUPAC name of 1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine (CID 86201400) is 1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine?
The canonical SMILES for 1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine is c1ccc(CN2CCN(CCC(c3ccccc3)c3ccccn3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine?
The InChIKey is HFYPMTKSRDBLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3/c1-3-9-22(10-4-1)21-28-19-17-27(18-20-28)16-14-24(23-11-5-2-6-12-23)25-13-7-8-15-26-25/h1-13,15,24H,14,16-21H2.
What are the key properties of 1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine?
1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine has a molecular weight of 371.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine is sourced from PubChem (CID 86201400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).