1-butyl-4-(1,3-diphenylpropyl)piperazine

C23H32N2 — CID 67570000

IUPAC1-butyl-4-(1,3-diphenylpropyl)piperazine
SMILESCCCCN1CCN(C(CCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H32N2/c1-2-3-16-24-17-19-25(20-18-24)23(22-12-8-5-9-13-22)15-14-21-10-6-4-7-11-21/h4-13,23H,2-3,14-20H2,1H3
InChIKeyMNFGKKYZLGTHKF-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.78
Rot. Bonds8

About 1-butyl-4-(1,3-diphenylpropyl)piperazine

1-butyl-4-(1,3-diphenylpropyl)piperazine (PubChem CID 67570000) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-butyl-4-(1,3-diphenylpropyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(1,3-diphenylpropyl)piperazine
PubChem CID67570000
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name1-butyl-4-(1,3-diphenylpropyl)piperazine
SMILESCCCCN1CCN(C(CCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H32N2/c1-2-3-16-24-17-19-25(20-18-24)23(22-12-8-5-9-13-22)15-14-21-10-6-4-7-11-21/h4-13,23H,2-3,14-20H2,1H3
InChIKeyMNFGKKYZLGTHKF-UHFFFAOYSA-N
XLogP4.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-4-butylpiperazine
CID 13416419
1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine
CID 138460070
1-benzhydryl-4-octylpiperazine
CID 12006583
1-benzyl-4-butylpiperazine;ethane
CID 90954358
2-[(4-butylpiperazin-1-yl)-phenylmethyl]aniline
CID 20795283
1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 783939
1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine
CID 90389497
1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine
CID 10345208
1-benzyl-4-heptylpiperazine
CID 22088087
(Z)-but-2-enedioic acid;3-[4-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazin-1-yl]propanenitrile
CID 20840205
1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
CID 95308586

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1,3-diphenylpropyl)piperazine?
The IUPAC name of 1-butyl-4-(1,3-diphenylpropyl)piperazine (CID 67570000) is 1-butyl-4-(1,3-diphenylpropyl)piperazine.
What is the SMILES notation for 1-butyl-4-(1,3-diphenylpropyl)piperazine?
The canonical SMILES for 1-butyl-4-(1,3-diphenylpropyl)piperazine is CCCCN1CCN(C(CCc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-butyl-4-(1,3-diphenylpropyl)piperazine?
The InChIKey is MNFGKKYZLGTHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-2-3-16-24-17-19-25(20-18-24)23(22-12-8-5-9-13-22)15-14-21-10-6-4-7-11-21/h4-13,23H,2-3,14-20H2,1H3.
What are the key properties of 1-butyl-4-(1,3-diphenylpropyl)piperazine?
1-butyl-4-(1,3-diphenylpropyl)piperazine has a molecular weight of 336.52 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1,3-diphenylpropyl)piperazine is sourced from PubChem (CID 67570000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).