2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine

C18H25ClN2 — CID 106440539

IUPAC2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine
SMILESC/C(=C/Cl)CN1CC(C2CC2)NCC1Cc1ccccc1
InChIInChI=1S/C18H25ClN2/c1-14(10-19)12-21-13-18(16-7-8-16)20-11-17(21)9-15-5-3-2-4-6-15/h2-6,10,16-18,20H,7-9,11-13H2,1H3/b14-10-
InChIKeyHHWKGTLZCGNMQL-UVTDQMKNSA-N
MW304.86 g/mol
LogP3.42
Rot. Bonds5

About 2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine

2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine (PubChem CID 106440539) has the molecular formula C18H25ClN2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine.

Molecular Properties

Compound Name2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine
PubChem CID106440539
Molecular FormulaC18H25ClN2
Molecular Weight304.86 g/mol
Exact Mass304.17
IUPAC Name2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine
SMILESC/C(=C/Cl)CN1CC(C2CC2)NCC1Cc1ccccc1
InChIInChI=1S/C18H25ClN2/c1-14(10-19)12-21-13-18(16-7-8-16)20-11-17(21)9-15-5-3-2-4-6-15/h2-6,10,16-18,20H,7-9,11-13H2,1H3/b14-10-
InChIKeyHHWKGTLZCGNMQL-UVTDQMKNSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1-butyl-5-cyclopropylpiperazine
CID 64860330
2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine
CID 79446756
1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
CID 114188917
1,2,5-tribenzylpiperazine
CID 64850137
1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine
CID 106439468
5-cyclopropyl-2-phenyl-1-propylpiperazine
CID 64860711
1,2-dibenzyl-5-propan-2-ylpiperazine
CID 64838668
1-benzyl-2,5-dicyclohexylpiperazine
CID 64861335
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
5-cyclopropyl-1-(cyclopropylmethyl)-2-phenylpiperazine
CID 64860134
1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106440350
2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine
CID 65462876

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine?
The IUPAC name of 2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine (CID 106440539) is 2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine.
What is the SMILES notation for 2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine?
The canonical SMILES for 2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine is C/C(=C/Cl)CN1CC(C2CC2)NCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine?
The InChIKey is HHWKGTLZCGNMQL-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H25ClN2/c1-14(10-19)12-21-13-18(16-7-8-16)20-11-17(21)9-15-5-3-2-4-6-15/h2-6,10,16-18,20H,7-9,11-13H2,1H3/b14-10-.
What are the key properties of 2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine?
2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine has a molecular weight of 304.86 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine is sourced from PubChem (CID 106440539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).