[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone

C18H18ClNO3 — CID 67170363

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18ClNO3/c19-14-3-7-16(8-4-14)23-17-9-11-20(12-10-17)18(22)13-1-5-15(21)6-2-13/h1-8,17,21H,9-12H2
InChIKeyXNJMEJYAAZRRPV-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.73
Rot. Bonds3

About [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 67170363) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID67170363
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18ClNO3/c19-14-3-7-16(8-4-14)23-17-9-11-20(12-10-17)18(22)13-1-5-15(21)6-2-13/h1-8,17,21H,9-12H2
InChIKeyXNJMEJYAAZRRPV-UHFFFAOYSA-N
XLogP3.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
CID 166281533
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
CID 166335707
[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
4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 67169499
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone (CID 67170363) is [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is XNJMEJYAAZRRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-14-3-7-16(8-4-14)23-17-9-11-20(12-10-17)18(22)13-1-5-15(21)6-2-13/h1-8,17,21H,9-12H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 331.80 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 67170363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).