1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol

C23H35NO2 — CID 69338735

IUPAC1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
SMILESCOc1ccc(C=C2CCCCC(CN(C)C)C2(O)C2CCCC2)cc1
InChIInChI=1S/C23H35NO2/c1-24(2)17-21-11-7-6-10-20(23(21,25)19-8-4-5-9-19)16-18-12-14-22(26-3)15-13-18/h12-16,19,21,25H,4-11,17H2,1-3H3
InChIKeyNKOMCDDFEYSKKP-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.75
Rot. Bonds5

About 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol

1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol (PubChem CID 69338735) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
PubChem CID69338735
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
SMILESCOc1ccc(C=C2CCCCC(CN(C)C)C2(O)C2CCCC2)cc1
InChIInChI=1S/C23H35NO2/c1-24(2)17-21-11-7-6-10-20(23(21,25)19-8-4-5-9-19)16-18-12-14-22(26-3)15-13-18/h12-16,19,21,25H,4-11,17H2,1-3H3
InChIKeyNKOMCDDFEYSKKP-UHFFFAOYSA-N
XLogP4.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-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

Venlafaxine
CID 5656
Tramadol
CID 33741
Venlafaxine Hydrochloride
CID 62923
Tramadol Hydrochloride
CID 63013
2-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol
CID 5523
N-Desmethylvenlafaxine
CID 3501942
(S)-Venlafaxine
CID 11846746
Tramadol N-Oxide
CID 9861699
Venlafaxine N-Oxide
CID 76559643
Venlafaxine, (R)-
CID 9795623
4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-butanol
CID 26649
1-{3-[4-(1-Hydroxy-1-propylbutyl)-phenoxy]propyl}piperidine
CID 11978735

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol?
The IUPAC name of 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol (CID 69338735) is 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol.
What is the SMILES notation for 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol?
The canonical SMILES for 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol is COc1ccc(C=C2CCCCC(CN(C)C)C2(O)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol?
The InChIKey is NKOMCDDFEYSKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-24(2)17-21-11-7-6-10-20(23(21,25)19-8-4-5-9-19)16-18-12-14-22(26-3)15-13-18/h12-16,19,21,25H,4-11,17H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol?
1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol has a molecular weight of 357.54 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol is sourced from PubChem (CID 69338735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).