4-(4-benzhydrylpiperazin-1-yl)butan-2-amine

C21H29N3 — CID 71433044

IUPAC4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
SMILESCC(N)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H29N3/c1-18(22)12-13-23-14-16-24(17-15-23)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21H,12-17,22H2,1H3
InChIKeyGMAOKBBISDHPIC-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.13
Rot. Bonds6

About 4-(4-benzhydrylpiperazin-1-yl)butan-2-amine

4-(4-benzhydrylpiperazin-1-yl)butan-2-amine (PubChem CID 71433044) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
PubChem CID71433044
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
SMILESCC(N)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H29N3/c1-18(22)12-13-23-14-16-24(17-15-23)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21H,12-17,22H2,1H3
InChIKeyGMAOKBBISDHPIC-UHFFFAOYSA-N
XLogP3.13
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
1-benzhydryl-4-butylpiperazine
CID 13416419
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
1-benzhydryl-4-octylpiperazine
CID 12006583
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
1-benzhydryl-4-methylpiperazine
CID 6726
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
CID 174413644

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)butan-2-amine?
The IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)butan-2-amine (CID 71433044) is 4-(4-benzhydrylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for 4-(4-benzhydrylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for 4-(4-benzhydrylpiperazin-1-yl)butan-2-amine is CC(N)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(4-benzhydrylpiperazin-1-yl)butan-2-amine?
The InChIKey is GMAOKBBISDHPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-18(22)12-13-23-14-16-24(17-15-23)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21H,12-17,22H2,1H3.
What are the key properties of 4-(4-benzhydrylpiperazin-1-yl)butan-2-amine?
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine has a molecular weight of 323.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 71433044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).