4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol

C16H23NO2 — CID 114520909

IUPAC4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(c2cccc(OC3CC3)c2)CC1
InChIInChI=1S/C16H23NO2/c1-17-10-3-8-16(18,9-11-17)13-4-2-5-15(12-13)19-14-6-7-14/h2,4-5,12,14,18H,3,6-11H2,1H3
InChIKeyBTXAJJRWFJFJBU-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.53
Rot. Bonds3

About 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol

4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol (PubChem CID 114520909) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol
PubChem CID114520909
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(c2cccc(OC3CC3)c2)CC1
InChIInChI=1S/C16H23NO2/c1-17-10-3-8-16(18,9-11-17)13-4-2-5-15(12-13)19-14-6-7-14/h2,4-5,12,14,18H,3,6-11H2,1H3
InChIKeyBTXAJJRWFJFJBU-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol 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-cyclopropyloxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429676
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117438913
3-(4-hydroxy-1-methylpiperidin-4-yl)benzaldehyde
CID 105474106
4-(3-chlorophenyl)-1-methylpiperidin-4-ol;ethane
CID 144802355
1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
CID 117368744
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727
1-[1-(3-cyclopropyloxyphenyl)cyclopropyl]ethanamine
CID 117309977
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol
CID 13363428
N-(3-cyclohexyloxyphenyl)-4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxamide
CID 23072106

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol?
The IUPAC name of 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol (CID 114520909) is 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol is CN1CCCC(O)(c2cccc(OC3CC3)c2)CC1.
What is the InChIKey of 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol?
The InChIKey is BTXAJJRWFJFJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-10-3-8-16(18,9-11-17)13-4-2-5-15(12-13)19-14-6-7-14/h2,4-5,12,14,18H,3,6-11H2,1H3.
What are the key properties of 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol?
4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol has a molecular weight of 261.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol is sourced from PubChem (CID 114520909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).