1-benzyl-3-butylpiperazine

C15H24N2 — CID 19353079

IUPAC1-benzyl-3-butylpiperazine
SMILESCCCCC1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C15H24N2/c1-2-3-9-15-13-17(11-10-16-15)12-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3
InChIKeyXESDITBVSGTNKQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.65
Rot. Bonds5

About 1-benzyl-3-butylpiperazine

1-benzyl-3-butylpiperazine (PubChem CID 19353079) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-benzyl-3-butylpiperazine.

Molecular Properties

Compound Name1-benzyl-3-butylpiperazine
PubChem CID19353079
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-benzyl-3-butylpiperazine
SMILESCCCCC1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C15H24N2/c1-2-3-9-15-13-17(11-10-16-15)12-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3
InChIKeyXESDITBVSGTNKQ-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
3-[(3-butylpiperazin-1-yl)methyl]benzoic acid
CID 44828715
3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane
CID 123685954
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
3-[[(3R)-3-propylpiperazin-1-yl]methyl]benzoic acid
CID 45072728
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
3-benzyl-1-octylpiperazine
CID 64833102
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
CID 69486967
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-butylpiperazine?
The IUPAC name of 1-benzyl-3-butylpiperazine (CID 19353079) is 1-benzyl-3-butylpiperazine.
What is the SMILES notation for 1-benzyl-3-butylpiperazine?
The canonical SMILES for 1-benzyl-3-butylpiperazine is CCCCC1CN(Cc2ccccc2)CCN1.
What is the InChIKey of 1-benzyl-3-butylpiperazine?
The InChIKey is XESDITBVSGTNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-3-9-15-13-17(11-10-16-15)12-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3.
What are the key properties of 1-benzyl-3-butylpiperazine?
1-benzyl-3-butylpiperazine has a molecular weight of 232.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-butylpiperazine is sourced from PubChem (CID 19353079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).