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

C17H23ClN2 — CID 64860320

IUPAC1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
SMILESClc1ccccc1CN1CC(C2CC2)NCC1C1CC1
InChIInChI=1S/C17H23ClN2/c18-15-4-2-1-3-14(15)10-20-11-16(12-5-6-12)19-9-17(20)13-7-8-13/h1-4,12-13,16-17,19H,5-11H2
InChIKeyJNRYXCIXQZAVQH-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.30
Rot. Bonds4

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

1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine (PubChem CID 64860320) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
PubChem CID64860320
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
SMILESClc1ccccc1CN1CC(C2CC2)NCC1C1CC1
InChIInChI=1S/C17H23ClN2/c18-15-4-2-1-3-14(15)10-20-11-16(12-5-6-12)19-9-17(20)13-7-8-13/h1-4,12-13,16-17,19H,5-11H2
InChIKeyJNRYXCIXQZAVQH-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine (CID 64860320) is 1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine is Clc1ccccc1CN1CC(C2CC2)NCC1C1CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine?
The InChIKey is JNRYXCIXQZAVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c18-15-4-2-1-3-14(15)10-20-11-16(12-5-6-12)19-9-17(20)13-7-8-13/h1-4,12-13,16-17,19H,5-11H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine?
1-[(2-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-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine is sourced from PubChem (CID 64860320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).