(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone

C19H20ClNO3 — CID 110396841

IUPAC(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClNO3/c1-23-16-6-8-17(9-7-16)24-18-10-12-21(13-11-18)19(22)14-2-4-15(20)5-3-14/h2-9,18H,10-13H2,1H3
InChIKeyJXKQNAFDPWYMBL-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.03
Rot. Bonds4

About (4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone

(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone (PubChem CID 110396841) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
PubChem CID110396841
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClNO3/c1-23-16-6-8-17(9-7-16)24-18-10-12-21(13-11-18)19(22)14-2-4-15(20)5-3-14/h2-9,18H,10-13H2,1H3
InChIKeyJXKQNAFDPWYMBL-UHFFFAOYSA-N
XLogP4.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 67169499
2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
CID 166281533
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 166377497
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone (CID 110396841) is (4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone is COc1ccc(OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The InChIKey is JXKQNAFDPWYMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-23-16-6-8-17(9-7-16)24-18-10-12-21(13-11-18)19(22)14-2-4-15(20)5-3-14/h2-9,18H,10-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone has a molecular weight of 345.83 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 110396841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).