2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone

C14H17Cl2NO — CID 166414867

IUPAC2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone
SMILESCC1(c2ccc(Cl)cc2)CCN(C(=O)CCl)CC1
InChIInChI=1S/C14H17Cl2NO/c1-14(11-2-4-12(16)5-3-11)6-8-17(9-7-14)13(18)10-15/h2-5H,6-10H2,1H3
InChIKeyGVOBQOKIJZLZPG-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.46
Rot. Bonds2

About 2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone

2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone (PubChem CID 166414867) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone
PubChem CID166414867
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone
SMILESCC1(c2ccc(Cl)cc2)CCN(C(=O)CCl)CC1
InChIInChI=1S/C14H17Cl2NO/c1-14(11-2-4-12(16)5-3-11)6-8-17(9-7-14)13(18)10-15/h2-5H,6-10H2,1H3
InChIKeyGVOBQOKIJZLZPG-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone (CID 166414867) is 2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone is CC1(c2ccc(Cl)cc2)CCN(C(=O)CCl)CC1.
What is the InChIKey of 2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone?
The InChIKey is GVOBQOKIJZLZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-14(11-2-4-12(16)5-3-11)6-8-17(9-7-14)13(18)10-15/h2-5H,6-10H2,1H3.
What are the key properties of 2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone?
2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone has a molecular weight of 286.20 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 166414867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).