(3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone

C21H24ClNO3 — CID 45240140

IUPAC(3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCCOc1cc(CN2CCCC(C(=O)c3cccc(Cl)c3)C2)ccc1O
InChIInChI=1S/C21H24ClNO3/c1-2-26-20-11-15(8-9-19(20)24)13-23-10-4-6-17(14-23)21(25)16-5-3-7-18(22)12-16/h3,5,7-9,11-12,17,24H,2,4,6,10,13-14H2,1H3
InChIKeyNSKXDJCEPYVQBU-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.54
Rot. Bonds6

About (3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone

(3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 45240140) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is (3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone
PubChem CID45240140
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name(3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCCOc1cc(CN2CCCC(C(=O)c3cccc(Cl)c3)C2)ccc1O
InChIInChI=1S/C21H24ClNO3/c1-2-26-20-11-15(8-9-19(20)24)13-23-10-4-6-17(14-23)21(25)16-5-3-7-18(22)12-16/h3,5,7-9,11-12,17,24H,2,4,6,10,13-14H2,1H3
InChIKeyNSKXDJCEPYVQBU-UHFFFAOYSA-N
XLogP4.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516135
(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516133
(3-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25298707
[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-chlorophenyl)methanone
CID 26328496
[(3R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 26406741
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
N-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26405826
(3-chlorophenyl)-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 23723447
(4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25455195
(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26324635
(3-chlorophenyl)-[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 126462062
(5-chloro-2-methoxyphenyl)-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 45251096

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone (CID 45240140) is (3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone is CCOc1cc(CN2CCCC(C(=O)c3cccc(Cl)c3)C2)ccc1O.
What is the InChIKey of (3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is NSKXDJCEPYVQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-2-26-20-11-15(8-9-19(20)24)13-23-10-4-6-17(14-23)21(25)16-5-3-7-18(22)12-16/h3,5,7-9,11-12,17,24H,2,4,6,10,13-14H2,1H3.
What are the key properties of (3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone?
(3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 373.88 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45240140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).