(4-chlorophenyl)-piperidin-4-ylmethanone

C12H14ClNO — CID 2777115

IUPAC(4-chlorophenyl)-piperidin-4-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C12H14ClNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2
InChIKeyIYGWDOXHCPQXKN-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.52
Rot. Bonds2

About (4-chlorophenyl)-piperidin-4-ylmethanone

(4-chlorophenyl)-piperidin-4-ylmethanone (PubChem CID 2777115) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (4-chlorophenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4-chlorophenyl)-piperidin-4-ylmethanone
PubChem CID2777115
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(4-chlorophenyl)-piperidin-4-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C12H14ClNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2
InChIKeyIYGWDOXHCPQXKN-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-piperidin-4-ylmethanone?
The IUPAC name of (4-chlorophenyl)-piperidin-4-ylmethanone (CID 2777115) is (4-chlorophenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4-chlorophenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (4-chlorophenyl)-piperidin-4-ylmethanone is O=C(c1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of (4-chlorophenyl)-piperidin-4-ylmethanone?
The InChIKey is IYGWDOXHCPQXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2.
What are the key properties of (4-chlorophenyl)-piperidin-4-ylmethanone?
(4-chlorophenyl)-piperidin-4-ylmethanone has a molecular weight of 223.70 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 2777115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).