1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine

C24H33N3 — CID 71411855

IUPAC1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
SMILESc1ccc(C(c2ccccc2)N2CCN(CCN3CCCCC3)CC2)cc1
InChIInChI=1S/C24H33N3/c1-4-10-22(11-5-1)24(23-12-6-2-7-13-23)27-20-18-26(19-21-27)17-16-25-14-8-3-9-15-25/h1-2,4-7,10-13,24H,3,8-9,14-21H2
InChIKeyHBOWPXFEJMZFMN-UHFFFAOYSA-N
MW363.55 g/mol
LogP3.88
Rot. Bonds6

About 1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine

1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine (PubChem CID 71411855) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
PubChem CID71411855
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
SMILESc1ccc(C(c2ccccc2)N2CCN(CCN3CCCCC3)CC2)cc1
InChIInChI=1S/C24H33N3/c1-4-10-22(11-5-1)24(23-12-6-2-7-13-23)27-20-18-26(19-21-27)17-16-25-14-8-3-9-15-25/h1-2,4-7,10-13,24H,3,8-9,14-21H2
InChIKeyHBOWPXFEJMZFMN-UHFFFAOYSA-N
XLogP3.88
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
3-(4-benzhydryl-1,4-diazepan-1-yl)propan-1-amine
CID 13488377
1-benzhydryl-4-butylpiperazine
CID 13416419
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
2-[2-(4-benzhydrylpiperazin-1-yl)ethyl]isoindole-1,3-dione
CID 14295610
1-benzhydryl-4-octylpiperazine
CID 12006583
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine
CID 22397650
1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
1-benzhydryl-4-methylpiperazine
CID 6726

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine (CID 71411855) is 1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine is c1ccc(C(c2ccccc2)N2CCN(CCN3CCCCC3)CC2)cc1.
What is the InChIKey of 1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine?
The InChIKey is HBOWPXFEJMZFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c1-4-10-22(11-5-1)24(23-12-6-2-7-13-23)27-20-18-26(19-21-27)17-16-25-14-8-3-9-15-25/h1-2,4-7,10-13,24H,3,8-9,14-21H2.
What are the key properties of 1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine?
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine has a molecular weight of 363.55 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine is sourced from PubChem (CID 71411855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).