1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine

C17H23ClN2 — CID 64862434

IUPAC1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
SMILESClc1cccc(CN2CC(C3CC3)NCC2C2CC2)c1
InChIInChI=1S/C17H23ClN2/c18-15-3-1-2-12(8-15)10-20-11-16(13-4-5-13)19-9-17(20)14-6-7-14/h1-3,8,13-14,16-17,19H,4-7,9-11H2
InChIKeyLWHNKQVVELHKHE-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.30
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine

1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine (PubChem CID 64862434) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
PubChem CID64862434
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
SMILESClc1cccc(CN2CC(C3CC3)NCC2C2CC2)c1
InChIInChI=1S/C17H23ClN2/c18-15-3-1-2-12(8-15)10-20-11-16(13-4-5-13)19-9-17(20)14-6-7-14/h1-3,8,13-14,16-17,19H,4-7,9-11H2
InChIKeyLWHNKQVVELHKHE-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-[(3-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64861094
1-benzyl-2,5-dicyclohexylpiperazine
CID 64861335
1-[(3-chlorophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870253
2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine
CID 64861091
2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine
CID 107310522
1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64860320
1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 64838558
1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64859758
(1S,4R)-2-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 7171836
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 64838844
2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine
CID 64862227

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine (CID 64862434) is 1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine is Clc1cccc(CN2CC(C3CC3)NCC2C2CC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine?
The InChIKey is LWHNKQVVELHKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c18-15-3-1-2-12(8-15)10-20-11-16(13-4-5-13)19-9-17(20)14-6-7-14/h1-3,8,13-14,16-17,19H,4-7,9-11H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine?
1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine has a molecular weight of 290.84 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine is sourced from PubChem (CID 64862434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).