1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine

C17H27ClN2O — CID 170863796

IUPAC1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine
SMILESCCOc1c(Cl)cc(C)cc1CCCN1CCN(C)CC1
InChIInChI=1S/C17H27ClN2O/c1-4-21-17-15(12-14(2)13-16(17)18)6-5-7-20-10-8-19(3)9-11-20/h12-13H,4-11H2,1-3H3
InChIKeyWOIFQZSDDAKECN-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.23
Rot. Bonds6

About 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine

1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine (PubChem CID 170863796) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine
PubChem CID170863796
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine
SMILESCCOc1c(Cl)cc(C)cc1CCCN1CCN(C)CC1
InChIInChI=1S/C17H27ClN2O/c1-4-21-17-15(12-14(2)13-16(17)18)6-5-7-20-10-8-19(3)9-11-20/h12-13H,4-11H2,1-3H3
InChIKeyWOIFQZSDDAKECN-UHFFFAOYSA-N
XLogP3.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine 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-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863787
1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
CID 170863805
1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine
CID 170863792
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-ethylpiperazine
CID 2961137
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578
3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863629
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039
1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine
CID 170863849
1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]pyrrolidine
CID 2299454
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine (CID 170863796) is 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine is CCOc1c(Cl)cc(C)cc1CCCN1CCN(C)CC1.
What is the InChIKey of 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine?
The InChIKey is WOIFQZSDDAKECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-21-17-15(12-14(2)13-16(17)18)6-5-7-20-10-8-19(3)9-11-20/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine?
1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine has a molecular weight of 310.87 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170863796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).