(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone

C13H16ClNO3 — CID 43216506

IUPAC(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C13H16ClNO3/c1-18-10-4-6-15(7-5-10)13(17)9-2-3-12(16)11(14)8-9/h2-3,8,10,16H,4-7H2,1H3
InChIKeyPFZJYLZIINXFLP-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.30
Rot. Bonds2

About (3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone

(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 43216506) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID43216506
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C13H16ClNO3/c1-18-10-4-6-15(7-5-10)13(17)9-2-3-12(16)11(14)8-9/h2-3,8,10,16H,4-7H2,1H3
InChIKeyPFZJYLZIINXFLP-UHFFFAOYSA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103734767
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
(3-chloro-4-iodophenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533788
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
1-(3-chloro-4-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63006768
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone (CID 43216506) is (3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is PFZJYLZIINXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-18-10-4-6-15(7-5-10)13(17)9-2-3-12(16)11(14)8-9/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of (3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 269.73 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 43216506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).