1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile

C16H21N3 — CID 126539189

IUPAC1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(N2CCN(Cc3ccccc3)CC2)CCC1
InChIInChI=1S/C16H21N3/c17-14-16(7-4-8-16)19-11-9-18(10-12-19)13-15-5-2-1-3-6-15/h1-3,5-6H,4,7-13H2
InChIKeyTUXBDPSQUFOXAA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.25
Rot. Bonds3

About 1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile

1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile (PubChem CID 126539189) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile
PubChem CID126539189
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(N2CCN(Cc3ccccc3)CC2)CCC1
InChIInChI=1S/C16H21N3/c17-14-16(7-4-8-16)19-11-9-18(10-12-19)13-15-5-2-1-3-6-15/h1-3,5-6H,4,7-13H2
InChIKeyTUXBDPSQUFOXAA-UHFFFAOYSA-N
XLogP2.25
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decane-9-carbonitrile
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1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
tert-butyl 4-(1-benzyl-3-cyanopiperidin-3-yl)piperazine-1-carboxylate
CID 71134895
3-(4-benzyl-1,4-diazepan-1-yl)propanenitrile
CID 131217924
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzylazepane
CID 10954328
2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
CID 145395092
(1S,5S)-9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
CID 86309083
1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 22314798
1-benzylpyrrolidine;propane
CID 143692089

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile (CID 126539189) is 1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile is N#CC1(N2CCN(Cc3ccccc3)CC2)CCC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile?
The InChIKey is TUXBDPSQUFOXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-14-16(7-4-8-16)19-11-9-18(10-12-19)13-15-5-2-1-3-6-15/h1-3,5-6H,4,7-13H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile?
1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile has a molecular weight of 255.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 126539189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).