1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine

C18H29ClN2O — CID 170863787

IUPAC1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine
SMILESCCCOc1c(Cl)cc(C)cc1CCCN1CCN(C)CC1
InChIInChI=1S/C18H29ClN2O/c1-4-12-22-18-16(13-15(2)14-17(18)19)6-5-7-21-10-8-20(3)9-11-21/h13-14H,4-12H2,1-3H3
InChIKeyBCIVBRRQNJCNSW-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.62
Rot. Bonds7

About 1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine

1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine (PubChem CID 170863787) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine
PubChem CID170863787
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine
SMILESCCCOc1c(Cl)cc(C)cc1CCCN1CCN(C)CC1
InChIInChI=1S/C18H29ClN2O/c1-4-12-22-18-16(13-15(2)14-17(18)19)6-5-7-21-10-8-20(3)9-11-21/h13-14H,4-12H2,1-3H3
InChIKeyBCIVBRRQNJCNSW-UHFFFAOYSA-N
XLogP3.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863796
1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine
CID 170863792
1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
CID 170863805
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
CID 82267120
1-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-ethylpiperazine
CID 2961137
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039
1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]pyrrolidine
CID 2299454
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine
CID 83940725
1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine
CID 2299248
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine (CID 170863787) is 1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine is CCCOc1c(Cl)cc(C)cc1CCCN1CCN(C)CC1.
What is the InChIKey of 1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine?
The InChIKey is BCIVBRRQNJCNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O/c1-4-12-22-18-16(13-15(2)14-17(18)19)6-5-7-21-10-8-20(3)9-11-21/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine?
1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine has a molecular weight of 324.90 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170863787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).