(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone

C13H16ClNO2 — CID 18108514

IUPAC(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C13H16ClNO2/c1-9-4-6-15(7-5-9)13(17)11-8-10(14)2-3-12(11)16/h2-3,8-9,16H,4-7H2,1H3
InChIKeyKLXCZWQLAPFWQN-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.92
Rot. Bonds1

About (5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone

(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 18108514) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID18108514
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C13H16ClNO2/c1-9-4-6-15(7-5-9)13(17)11-8-10(14)2-3-12(11)16/h2-3,8-9,16H,4-7H2,1H3
InChIKeyKLXCZWQLAPFWQN-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone (CID 18108514) is (5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KLXCZWQLAPFWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-4-6-15(7-5-9)13(17)11-8-10(14)2-3-12(11)16/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of (5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone?
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 18108514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).