(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone

C16H22ClNO2 — CID 59744940

IUPAC(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc(Cl)c(OC)c2)CCCNC1
InChIInChI=1S/C16H22ClNO2/c1-3-7-16(8-4-9-18-11-16)15(19)12-5-6-13(17)14(10-12)20-2/h5-6,10,18H,3-4,7-9,11H2,1-2H3
InChIKeyRTQFCBRLCAQKAU-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.70
Rot. Bonds5

About (4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone

(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 59744940) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
PubChem CID59744940
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc(Cl)c(OC)c2)CCCNC1
InChIInChI=1S/C16H22ClNO2/c1-3-7-16(8-4-9-18-11-16)15(19)12-5-6-13(17)14(10-12)20-2/h5-6,10,18H,3-4,7-9,11H2,1-2H3
InChIKeyRTQFCBRLCAQKAU-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568591
(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569714
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115781751
(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 59744658
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157
2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
CID 116569748
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone
CID 116569633
(4-chloro-3-phenylsulfanylphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 44547630
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669187

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone (CID 59744940) is (4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)c2ccc(Cl)c(OC)c2)CCCNC1.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is RTQFCBRLCAQKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-7-16(8-4-9-18-11-16)15(19)12-5-6-13(17)14(10-12)20-2/h5-6,10,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone?
(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 295.81 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 59744940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).