2-(4-benzylpiperazin-2-yl)aniline

C17H21N3 — CID 66697568

IUPAC2-(4-benzylpiperazin-2-yl)aniline
SMILESNc1ccccc1C1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C17H21N3/c18-16-9-5-4-8-15(16)17-13-20(11-10-19-17)12-14-6-2-1-3-7-14/h1-9,17,19H,10-13,18H2
InChIKeyZYSNMAQUKWMJFE-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.42
Rot. Bonds3

About 2-(4-benzylpiperazin-2-yl)aniline

2-(4-benzylpiperazin-2-yl)aniline (PubChem CID 66697568) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-2-yl)aniline.

Molecular Properties

Compound Name2-(4-benzylpiperazin-2-yl)aniline
PubChem CID66697568
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(4-benzylpiperazin-2-yl)aniline
SMILESNc1ccccc1C1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C17H21N3/c18-16-9-5-4-8-15(16)17-13-20(11-10-19-17)12-14-6-2-1-3-7-14/h1-9,17,19H,10-13,18H2
InChIKeyZYSNMAQUKWMJFE-UHFFFAOYSA-N
XLogP2.42
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
4-(4-benzylpiperazin-2-yl)benzaldehyde
CID 166460961
1-benzyl-3-(3-benzylimidazol-4-yl)piperazine
CID 134851631
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
2-(4-benzylpiperazin-2-yl)propan-2-ol
CID 15087796
(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol
CID 92978714
(2R)-4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenylmethyl)piperazine-2-carboxylic acid
CID 95549387
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
1-benzyl-3-butylpiperazine
CID 19353079

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-2-yl)aniline?
The IUPAC name of 2-(4-benzylpiperazin-2-yl)aniline (CID 66697568) is 2-(4-benzylpiperazin-2-yl)aniline.
What is the SMILES notation for 2-(4-benzylpiperazin-2-yl)aniline?
The canonical SMILES for 2-(4-benzylpiperazin-2-yl)aniline is Nc1ccccc1C1CN(Cc2ccccc2)CCN1.
What is the InChIKey of 2-(4-benzylpiperazin-2-yl)aniline?
The InChIKey is ZYSNMAQUKWMJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-16-9-5-4-8-15(16)17-13-20(11-10-19-17)12-14-6-2-1-3-7-14/h1-9,17,19H,10-13,18H2.
What are the key properties of 2-(4-benzylpiperazin-2-yl)aniline?
2-(4-benzylpiperazin-2-yl)aniline has a molecular weight of 267.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-2-yl)aniline is sourced from PubChem (CID 66697568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).