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

C16H23NO2 — CID 116569203

IUPAC2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccc(O)cc2)CCNCC1
InChIInChI=1S/C16H23NO2/c1-2-7-16(8-10-17-11-9-16)15(19)12-13-3-5-14(18)6-4-13/h3-6,17-18H,2,7-12H2,1H3
InChIKeyUUKURUKWLDLSNH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.67
Rot. Bonds5

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

2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone (PubChem CID 116569203) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone
PubChem CID116569203
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccc(O)cc2)CCNCC1
InChIInChI=1S/C16H23NO2/c1-2-7-16(8-10-17-11-9-16)15(19)12-13-3-5-14(18)6-4-13/h3-6,17-18H,2,7-12H2,1H3
InChIKeyUUKURUKWLDLSNH-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 105411935
2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569209
2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569084
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569053
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
1-(4-propylpiperidin-4-yl)pent-3-yn-1-one
CID 116569082
2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567626
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570610
(2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate
CID 82824789
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone (CID 116569203) is 2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone is CCCC1(C(=O)Cc2ccc(O)cc2)CCNCC1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The InChIKey is UUKURUKWLDLSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-7-16(8-10-17-11-9-16)15(19)12-13-3-5-14(18)6-4-13/h3-6,17-18H,2,7-12H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone?
2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 116569203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).