1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine

C18H29ClN2O — CID 83940725

IUPAC1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine
SMILESCCCOc1c(C)cc(Cl)c(C)c1CCCN1CCNCC1
InChIInChI=1S/C18H29ClN2O/c1-4-12-22-18-14(2)13-17(19)15(3)16(18)6-5-9-21-10-7-20-8-11-21/h13,20H,4-12H2,1-3H3
InChIKeyDWTOBLSKHMQXDA-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.58
Rot. Bonds7

About 1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine

1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine (PubChem CID 83940725) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine
PubChem CID83940725
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine
SMILESCCCOc1c(C)cc(Cl)c(C)c1CCCN1CCNCC1
InChIInChI=1S/C18H29ClN2O/c1-4-12-22-18-14(2)13-17(19)15(3)16(18)6-5-9-21-10-7-20-8-11-21/h13,20H,4-12H2,1-3H3
InChIKeyDWTOBLSKHMQXDA-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine
CID 2195012
1-[4-(2,6-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940345
5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one
CID 83940685
1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
CID 82267120
1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine
CID 2299248
1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940966
1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863787
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266700
1-[2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)ethyl]piperazine
CID 117462557
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
CID 83944159

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine (CID 83940725) is 1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine is CCCOc1c(C)cc(Cl)c(C)c1CCCN1CCNCC1.
What is the InChIKey of 1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine?
The InChIKey is DWTOBLSKHMQXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O/c1-4-12-22-18-14(2)13-17(19)15(3)16(18)6-5-9-21-10-7-20-8-11-21/h13,20H,4-12H2,1-3H3.
What are the key properties of 1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine?
1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine has a molecular weight of 324.90 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine is sourced from PubChem (CID 83940725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).