1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol

C16H23NO — CID 117365932

IUPAC1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
SMILESCN1CCCC(c2ccc(C3(O)CC3)cc2)CC1
InChIInChI=1S/C16H23NO/c1-17-11-2-3-13(8-12-17)14-4-6-15(7-5-14)16(18)9-10-16/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyVPMNXHOZWGYFQL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.87
Rot. Bonds2

About 1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol

1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol (PubChem CID 117365932) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
PubChem CID117365932
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
SMILESCN1CCCC(c2ccc(C3(O)CC3)cc2)CC1
InChIInChI=1S/C16H23NO/c1-17-11-2-3-13(8-12-17)14-4-6-15(7-5-14)16(18)9-10-16/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyVPMNXHOZWGYFQL-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
CID 116505443
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
4-[4-(1-isocyanatocyclobutyl)phenyl]-1-methylazepane
CID 117458040
1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852
CID 145001791
CID 145001791
1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol
CID 117341216
4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
CID 116505390
1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 116505382
2-methyl-1-[4-(1-methylazepan-4-yl)phenyl]propan-2-amine
CID 117405843
[4-(1-methylpiperidin-4-yl)phenyl]methanol
CID 58229057
2,2-dimethyl-3-[4-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117467737

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol (CID 117365932) is 1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol is CN1CCCC(c2ccc(C3(O)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol?
The InChIKey is VPMNXHOZWGYFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-17-11-2-3-13(8-12-17)14-4-6-15(7-5-14)16(18)9-10-16/h4-7,13,18H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol?
1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117365932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).