2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone

C14H18ClNO2 — CID 774159

IUPAC2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-11-9-12(15)5-6-13(11)18-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyQUVVSMMEXRDMMW-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone

2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone (PubChem CID 774159) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone
PubChem CID774159
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-11-9-12(15)5-6-13(11)18-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyQUVVSMMEXRDMMW-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone (CID 774159) is 2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone is Cc1cc(Cl)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone?
The InChIKey is QUVVSMMEXRDMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-11-9-12(15)5-6-13(11)18-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone?
2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone has a molecular weight of 267.76 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-piperidin-1-ylethanone is sourced from PubChem (CID 774159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).