1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine

C15H23ClN2O — CID 64831564

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNCCN1Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H23ClN2O/c1-3-4-14-10-17-7-8-18(14)11-12-9-13(16)5-6-15(12)19-2/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyLDHCHDIVQJFQCB-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.92
Rot. Bonds5

About 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine

1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine (PubChem CID 64831564) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine
PubChem CID64831564
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNCCN1Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H23ClN2O/c1-3-4-14-10-17-7-8-18(14)11-12-9-13(16)5-6-15(12)19-2/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyLDHCHDIVQJFQCB-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846366
1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine
CID 107310434
1-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870133
2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 95169826
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
1-(naphthalen-1-ylmethyl)-2-propylpiperazine
CID 64832736
2-propyl-1-(pyridin-4-ylmethyl)piperazine
CID 64832934
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371710
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581996
2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64832933
1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline
CID 79232786

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine (CID 64831564) is 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine is CCCC1CNCCN1Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine?
The InChIKey is LDHCHDIVQJFQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-4-14-10-17-7-8-18(14)11-12-9-13(16)5-6-15(12)19-2/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine?
1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine has a molecular weight of 282.81 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine is sourced from PubChem (CID 64831564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).