1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine

C19H30N2O — CID 117487419

IUPAC1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine
SMILESCc1ccc(CCN2CCNCC2)c(OC2CCCC2)c1C
InChIInChI=1S/C19H30N2O/c1-15-7-8-17(9-12-21-13-10-20-11-14-21)19(16(15)2)22-18-5-3-4-6-18/h7-8,18,20H,3-6,9-14H2,1-2H3
InChIKeyANMGEWRPOFELIT-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.07
Rot. Bonds5

About 1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine

1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine (PubChem CID 117487419) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine
PubChem CID117487419
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine
SMILESCc1ccc(CCN2CCNCC2)c(OC2CCCC2)c1C
InChIInChI=1S/C19H30N2O/c1-15-7-8-17(9-12-21-13-10-20-11-14-21)19(16(15)2)22-18-5-3-4-6-18/h7-8,18,20H,3-6,9-14H2,1-2H3
InChIKeyANMGEWRPOFELIT-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclopentyloxy-3,4-dimethylphenyl)methyl]pyrrolidine
CID 117436699
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
CID 59161326
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine
CID 117374509
1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
CID 117495669
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
CID 117466165
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
3-[2-(1,4-diazepan-1-yl)ethyl]-4,7-dimethyl-1H-indole
CID 96679408
1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117446437

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine (CID 117487419) is 1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine is Cc1ccc(CCN2CCNCC2)c(OC2CCCC2)c1C.
What is the InChIKey of 1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine?
The InChIKey is ANMGEWRPOFELIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15-7-8-17(9-12-21-13-10-20-11-14-21)19(16(15)2)22-18-5-3-4-6-18/h7-8,18,20H,3-6,9-14H2,1-2H3.
What are the key properties of 1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine?
1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine has a molecular weight of 302.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 117487419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).