[3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone

C20H22ClNO2 — CID 86114774

IUPAC[3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone
SMILESCC(Oc1cccc(C(=O)N2CCCCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO2/c1-15(16-8-10-18(21)11-9-16)24-19-7-5-6-17(14-19)20(23)22-12-3-2-4-13-22/h5-11,14-15H,2-4,12-13H2,1H3
InChIKeyWMSBNNRZKUZUMK-UHFFFAOYSA-N
MW343.85 g/mol
LogP5.11
Rot. Bonds4

About [3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone

[3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone (PubChem CID 86114774) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is [3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone
PubChem CID86114774
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name[3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone
SMILESCC(Oc1cccc(C(=O)N2CCCCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO2/c1-15(16-8-10-18(21)11-9-16)24-19-7-5-6-17(14-19)20(23)22-12-3-2-4-13-22/h5-11,14-15H,2-4,12-13H2,1H3
InChIKeyWMSBNNRZKUZUMK-UHFFFAOYSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.85
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
2-(4-chlorophenoxy)-1-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544923
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92768612
2-(4-chlorophenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108535959
azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
CID 134029931
(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544821
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
3-(4-chlorophenyl)-1-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544951
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088

Frequently Asked Questions

What is the IUPAC name of [3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone (CID 86114774) is [3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone is CC(Oc1cccc(C(=O)N2CCCCC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of [3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone?
The InChIKey is WMSBNNRZKUZUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-15(16-8-10-18(21)11-9-16)24-19-7-5-6-17(14-19)20(23)22-12-3-2-4-13-22/h5-11,14-15H,2-4,12-13H2,1H3.
What are the key properties of [3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone?
[3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone has a molecular weight of 343.85 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 86114774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).