1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone

C16H23NO2 — CID 78992664

IUPAC1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESCCC1CCCN(C(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C16H23NO2/c1-2-13-6-5-10-17(11-9-13)16(19)12-14-7-3-4-8-15(14)18/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyMQBVDPWRWQEOOD-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.97
Rot. Bonds3

About 1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone

1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone (PubChem CID 78992664) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
PubChem CID78992664
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESCCC1CCCN(C(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C16H23NO2/c1-2-13-6-5-10-17(11-9-13)16(19)12-14-7-3-4-8-15(14)18/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyMQBVDPWRWQEOOD-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
CID 119794892
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740906
1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78967459
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
2-(2-hydroxyphenyl)-1-[3-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 166236384
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone
CID 63591376

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone (CID 78992664) is 1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone is CCC1CCCN(C(=O)Cc2ccccc2O)CC1.
What is the InChIKey of 1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
The InChIKey is MQBVDPWRWQEOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-13-6-5-10-17(11-9-13)16(19)12-14-7-3-4-8-15(14)18/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3.
What are the key properties of 1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone has a molecular weight of 261.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 78992664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).