1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one

C18H26ClNO2 — CID 82052898

IUPAC1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCCOc1ccc(C(=O)CCN2CCC(C)CC2)cc1Cl
InChIInChI=1S/C18H26ClNO2/c1-3-12-22-18-5-4-15(13-16(18)19)17(21)8-11-20-9-6-14(2)7-10-20/h4-5,13-14H,3,6-12H2,1-2H3
InChIKeyNOWDYAZYTJSSRC-UHFFFAOYSA-N
MW323.86 g/mol
LogP4.43
Rot. Bonds7

About 1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one

1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 82052898) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID82052898
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCCOc1ccc(C(=O)CCN2CCC(C)CC2)cc1Cl
InChIInChI=1S/C18H26ClNO2/c1-3-12-22-18-5-4-15(13-16(18)19)17(21)8-11-20-9-6-14(2)7-10-20/h4-5,13-14H,3,6-12H2,1-2H3
InChIKeyNOWDYAZYTJSSRC-UHFFFAOYSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052845
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone
CID 82051417
1-(3-chloro-4-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82052906
1-(3-ethyl-4-propoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82054261
1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 82052874
3-(azepan-1-yl)-1-(3-chloro-4-propan-2-yloxyphenyl)propan-1-one
CID 82052934
4-(4-butoxy-3-chlorophenyl)-4-oxobutanoic acid
CID 58833566
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 93194083
1-(4-hexylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82050299
1-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 44828222

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one (CID 82052898) is 1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one is CCCOc1ccc(C(=O)CCN2CCC(C)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is NOWDYAZYTJSSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-3-12-22-18-5-4-15(13-16(18)19)17(21)8-11-20-9-6-14(2)7-10-20/h4-5,13-14H,3,6-12H2,1-2H3.
What are the key properties of 1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one?
1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 323.86 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82052898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).