4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine

C18H26ClNO2 — CID 58771940

IUPAC4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine
SMILESCOc1ccc(Cl)cc1C1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C18H26ClNO2/c1-21-18-3-2-16(19)12-17(18)15-4-8-20(9-5-15)13-14-6-10-22-11-7-14/h2-3,12,14-15H,4-11,13H2,1H3
InChIKeyOZDSMMKDUXDMTK-UHFFFAOYSA-N
MW323.86 g/mol
LogP3.95
Rot. Bonds4

About 4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine

4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine (PubChem CID 58771940) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine
PubChem CID58771940
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine
SMILESCOc1ccc(Cl)cc1C1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C18H26ClNO2/c1-21-18-3-2-16(19)12-17(18)15-4-8-20(9-5-15)13-14-6-10-22-11-7-14/h2-3,12,14-15H,4-11,13H2,1H3
InChIKeyOZDSMMKDUXDMTK-UHFFFAOYSA-N
XLogP3.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266695
2-(5-chloro-2-methoxyphenyl)oxirane
CID 82075180
(3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine
CID 95135764
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178
ethane;4-[2-methoxy-5-(4-methylsulfanylphenyl)phenyl]-1-(oxan-4-yl)piperidine
CID 143235233
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
1-[4,5-dimethoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-(oxan-4-ylmethyl)piperazine
CID 23142016
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine (CID 58771940) is 4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine is COc1ccc(Cl)cc1C1CCN(CC2CCOCC2)CC1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine?
The InChIKey is OZDSMMKDUXDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-21-18-3-2-16(19)12-17(18)15-4-8-20(9-5-15)13-14-6-10-22-11-7-14/h2-3,12,14-15H,4-11,13H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine?
4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine has a molecular weight of 323.86 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine is sourced from PubChem (CID 58771940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).