4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol

C15H22FNO — CID 65077824

IUPAC4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO/c1-12(2)17-10-3-8-15(18,9-11-17)13-4-6-14(16)7-5-13/h4-7,12,18H,3,8-11H2,1-2H3
InChIKeySYYPOFSDUIJKDZ-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.91
Rot. Bonds2

About 4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol

4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol (PubChem CID 65077824) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol
PubChem CID65077824
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO/c1-12(2)17-10-3-8-15(18,9-11-17)13-4-6-14(16)7-5-13/h4-7,12,18H,3,8-11H2,1-2H3
InChIKeySYYPOFSDUIJKDZ-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-1-propan-2-ylazepan-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

Tridihexethyl
CID 20299
Tridihexethyl Chloride
CID 20298
5-(3-(Dimethylamino)propyl)-5H-dibenzo(a,d)-cyclohepten-5-ol
CID 87418
1-Methyl-4-phenylpiperidin-4-ol
CID 78670
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-
CID 4945
alpha-Cyclohexyl-alpha-(2-(diethylamino)ethyl)benzenemethanol
CID 114547
Tridihexethyl Iodide
CID 31334
Benzhydrol, alpha-(2-(dimethylamino)ethyl)-, hydrochloride
CID 201597
alpha-(2-(Dimethylamino)ethyl)-alpha-phenylbenzenemethanol
CID 199511
(alphaS)-alpha-((1R)-2-(Dimethylamino)-1-methylethyl)-alpha-phenylbenzeneethanol
CID 688064
3-Phenyl-1-piperidin-1-ylnonan-3-ol
CID 24761161
3-(Dimethylamino)-2-methyl-1,1-diphenylpropan-1-ol
CID 110988

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol (CID 65077824) is 4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol is CC(C)N1CCCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol?
The InChIKey is SYYPOFSDUIJKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12(2)17-10-3-8-15(18,9-11-17)13-4-6-14(16)7-5-13/h4-7,12,18H,3,8-11H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol?
4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol has a molecular weight of 251.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 65077824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).