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

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylazepan-4-ol
CID 65077277
1-propan-2-yl-4-thiophen-3-ylazepan-4-ol
CID 65099457
4-(5-fluoro-1-benzofuran-2-yl)-1-propan-2-ylazepan-4-ol
CID 114723969
cis-(1R,4S)-1,4-bis(4-fluorophenyl)cycloheptane-1,4-diol
CID 101158460
1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol
CID 62795744
4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
CID 57045332
1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol
CID 58721778
3-phenyl-1-propan-2-ylpiperidin-3-ol
CID 12689966
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
4-[3-(2-methylpropyl)phenyl]-1-propan-2-ylazepan-4-ol
CID 116542614
4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 60895688
4-(furan-2-yl)-1-propan-2-ylazepan-4-ol
CID 65077325

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).