1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine

C17H26N2O2 — CID 117469441

IUPAC1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
SMILESCOc1cc(CCN2CCNCC2)ccc1OCC1CC1
InChIInChI=1S/C17H26N2O2/c1-20-17-12-14(6-9-19-10-7-18-8-11-19)4-5-16(17)21-13-15-2-3-15/h4-5,12,15,18H,2-3,6-11,13H2,1H3
InChIKeyRBAYUIAIHLJSDD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.93
Rot. Bonds7

About 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine

1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine (PubChem CID 117469441) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
PubChem CID117469441
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
SMILESCOc1cc(CCN2CCNCC2)ccc1OCC1CC1
InChIInChI=1S/C17H26N2O2/c1-20-17-12-14(6-9-19-10-7-18-8-11-19)4-5-16(17)21-13-15-2-3-15/h4-5,12,15,18H,2-3,6-11,13H2,1H3
InChIKeyRBAYUIAIHLJSDD-UHFFFAOYSA-N
XLogP1.93
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine 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

2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
CID 117466165
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
CID 117495710
1-[2-(3-tert-butyl-4-ethoxyphenyl)ethyl]piperazine
CID 82263880
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
CID 82160589

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine (CID 117469441) is 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine is COc1cc(CCN2CCNCC2)ccc1OCC1CC1.
What is the InChIKey of 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine?
The InChIKey is RBAYUIAIHLJSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-17-12-14(6-9-19-10-7-18-8-11-19)4-5-16(17)21-13-15-2-3-15/h4-5,12,15,18H,2-3,6-11,13H2,1H3.
What are the key properties of 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine?
1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine has a molecular weight of 290.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine is sourced from PubChem (CID 117469441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).