1-(4-benzhydrylpiperazin-1-yl)ethanamine

C19H25N3 — CID 68974612

IUPAC1-(4-benzhydrylpiperazin-1-yl)ethanamine
SMILESCC(N)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H25N3/c1-16(20)21-12-14-22(15-13-21)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19H,12-15,20H2,1H3
InChIKeyOPTBWVZXICJOII-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-benzhydrylpiperazin-1-yl)ethanamine

1-(4-benzhydrylpiperazin-1-yl)ethanamine (PubChem CID 68974612) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)ethanamine
PubChem CID68974612
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)ethanamine
SMILESCC(N)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H25N3/c1-16(20)21-12-14-22(15-13-21)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19H,12-15,20H2,1H3
InChIKeyOPTBWVZXICJOII-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzhydrylpiperazin-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
1-benzhydryl-4-methylpiperazine
CID 6726
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine
CID 67763745
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
1-benzhydryl-4-methylpiperazin-4-ium chloride
CID 517299
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
4-benzhydryl-N-[(2S)-butan-2-yl]piperazine-1-carbothioamide
CID 7130379
1-benzhydryl-4-butylpiperazine
CID 13416419

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)ethanamine (CID 68974612) is 1-(4-benzhydrylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)ethanamine is CC(N)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)ethanamine?
The InChIKey is OPTBWVZXICJOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-16(20)21-12-14-22(15-13-21)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19H,12-15,20H2,1H3.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)ethanamine?
1-(4-benzhydrylpiperazin-1-yl)ethanamine has a molecular weight of 295.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 68974612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).