(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone

C15H20ClNO — CID 121479155

IUPAC(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone
SMILESCCCN1CCCC(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO/c1-2-8-17-9-4-6-13(11-17)15(18)12-5-3-7-14(16)10-12/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3
InChIKeyDZUJVMXTUWWBQB-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.64
Rot. Bonds4

About (3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone

(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone (PubChem CID 121479155) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone
PubChem CID121479155
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone
SMILESCCCN1CCCC(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO/c1-2-8-17-9-4-6-13(11-17)15(18)12-5-3-7-14(16)10-12/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3
InChIKeyDZUJVMXTUWWBQB-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone (CID 121479155) is (3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone is CCCN1CCCC(C(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of (3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone?
The InChIKey is DZUJVMXTUWWBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-8-17-9-4-6-13(11-17)15(18)12-5-3-7-14(16)10-12/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3.
What are the key properties of (3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone?
(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone has a molecular weight of 265.78 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 121479155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).