[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol

C16H25NO — CID 112631282

IUPAC[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol
SMILESCCC1CCCN(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C16H25NO/c1-2-14-4-3-10-17(11-9-14)12-15-5-7-16(13-18)8-6-15/h5-8,14,18H,2-4,9-13H2,1H3
InChIKeyKDAPKGXEQUESOP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.19
Rot. Bonds4

About [4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol

[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol (PubChem CID 112631282) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol
PubChem CID112631282
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol
SMILESCCC1CCCN(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C16H25NO/c1-2-14-4-3-10-17(11-9-14)12-15-5-7-16(13-18)8-6-15/h5-8,14,18H,2-4,9-13H2,1H3
InChIKeyKDAPKGXEQUESOP-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
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[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]methanol
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4-[(4-ethylazepan-1-yl)methyl]-2-(trifluoromethyl)phenol
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4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
[4-[[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009557
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 61420812
[4-[[4-[3-(dimethylamino)propyl]piperidin-1-yl]methyl]phenyl]methanol
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(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol?
The IUPAC name of [4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol (CID 112631282) is [4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol is CCC1CCCN(Cc2ccc(CO)cc2)CC1.
What is the InChIKey of [4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol?
The InChIKey is KDAPKGXEQUESOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-14-4-3-10-17(11-9-14)12-15-5-7-16(13-18)8-6-15/h5-8,14,18H,2-4,9-13H2,1H3.
What are the key properties of [4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol?
[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 112631282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).