2-(4-benzylpiperazin-1-yl)-2-phenylethanamine

C19H25N3 — CID 18071222

IUPAC2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
SMILESNCC(c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3/c20-15-19(18-9-5-2-6-10-18)22-13-11-21(12-14-22)16-17-7-3-1-4-8-17/h1-10,19H,11-16,20H2
InChIKeyDQHCHQHPNHCGAU-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-2-phenylethanamine

2-(4-benzylpiperazin-1-yl)-2-phenylethanamine (PubChem CID 18071222) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
PubChem CID18071222
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
SMILESNCC(c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3/c20-15-19(18-9-5-2-6-10-18)22-13-11-21(12-14-22)16-17-7-3-1-4-8-17/h1-10,19H,11-16,20H2
InChIKeyDQHCHQHPNHCGAU-UHFFFAOYSA-N
XLogP2.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine
CID 84744028
2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine
CID 84744421
1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 90668406
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
CID 9161222
2-(4-benzylpiperazin-1-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501576
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
3-[1-(4-benzylpiperazin-1-yl)-3-methylbutyl]phenol
CID 10716545
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine
CID 122219060
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-2-phenylethanamine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-2-phenylethanamine (CID 18071222) is 2-(4-benzylpiperazin-1-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-2-phenylethanamine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-2-phenylethanamine is NCC(c1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-2-phenylethanamine?
The InChIKey is DQHCHQHPNHCGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c20-15-19(18-9-5-2-6-10-18)22-13-11-21(12-14-22)16-17-7-3-1-4-8-17/h1-10,19H,11-16,20H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-2-phenylethanamine?
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine has a molecular weight of 295.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-2-phenylethanamine is sourced from PubChem (CID 18071222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).