[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone

C18H24ClNO3 — CID 74245884

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CCC1
InChIInChI=1S/C18H24ClNO3/c1-23-13-17(7-2-8-17)16(21)20-11-9-18(22,10-12-20)14-3-5-15(19)6-4-14/h3-6,22H,2,7-13H2,1H3
InChIKeyXRNHJXFZFQHZRI-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.97
Rot. Bonds4

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (PubChem CID 74245884) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
PubChem CID74245884
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CCC1
InChIInChI=1S/C18H24ClNO3/c1-23-13-17(7-2-8-17)16(21)20-11-9-18(22,10-12-20)14-3-5-15(19)6-4-14/h3-6,22H,2,7-13H2,1H3
InChIKeyXRNHJXFZFQHZRI-UHFFFAOYSA-N
XLogP2.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 74235574
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120640799
[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165747
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 74236646
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1-(methoxymethyl)cyclobutyl]methanone
CID 70786279
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 56895864
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 118662277
8-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705402
ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
CID 3019411
oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 6736627
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (CID 74245884) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is COCC1(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CCC1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The InChIKey is XRNHJXFZFQHZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-23-13-17(7-2-8-17)16(21)20-11-9-18(22,10-12-20)14-3-5-15(19)6-4-14/h3-6,22H,2,7-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone has a molecular weight of 337.85 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 74245884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).