1-benzhydryl-4-butylpiperazine

C21H28N2 — CID 13416419

IUPAC1-benzhydryl-4-butylpiperazine
SMILESCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-2-3-14-22-15-17-23(18-16-22)21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21H,2-3,14-18H2,1H3
InChIKeyUEPORVPTCYCKAZ-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.19
Rot. Bonds6

About 1-benzhydryl-4-butylpiperazine

1-benzhydryl-4-butylpiperazine (PubChem CID 13416419) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-benzhydryl-4-butylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-butylpiperazine
PubChem CID13416419
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-benzhydryl-4-butylpiperazine
SMILESCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-2-3-14-22-15-17-23(18-16-22)21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21H,2-3,14-18H2,1H3
InChIKeyUEPORVPTCYCKAZ-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-4-octylpiperazine
CID 12006583
2-[(4-butylpiperazin-1-yl)-phenylmethyl]aniline
CID 20795283
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine
CID 22397650
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
3-(4-benzhydryl-1,4-diazepan-1-yl)propan-1-amine
CID 13488377
1-butyl-4-(1,3-diphenylpropyl)piperazine
CID 67570000
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
1-benzhydryl-4-methylpiperazine
CID 6726

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-butylpiperazine?
The IUPAC name of 1-benzhydryl-4-butylpiperazine (CID 13416419) is 1-benzhydryl-4-butylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-butylpiperazine?
The canonical SMILES for 1-benzhydryl-4-butylpiperazine is CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-butylpiperazine?
The InChIKey is UEPORVPTCYCKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-2-3-14-22-15-17-23(18-16-22)21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21H,2-3,14-18H2,1H3.
What are the key properties of 1-benzhydryl-4-butylpiperazine?
1-benzhydryl-4-butylpiperazine has a molecular weight of 308.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-butylpiperazine is sourced from PubChem (CID 13416419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).