(3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone

C14H18ClNO3 — CID 2301958

IUPAC(3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(C(=O)N2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C14H18ClNO3/c1-18-12-9-10(8-11(15)13(12)19-2)14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3
InChIKeyIHCFIWAJHLRFNK-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.98
Rot. Bonds3

About (3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone

(3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 2301958) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
PubChem CID2301958
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(C(=O)N2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C14H18ClNO3/c1-18-12-9-10(8-11(15)13(12)19-2)14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3
InChIKeyIHCFIWAJHLRFNK-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone (CID 2301958) is (3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone is COc1cc(C(=O)N2CCCCC2)cc(Cl)c1OC.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is IHCFIWAJHLRFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-18-12-9-10(8-11(15)13(12)19-2)14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone?
(3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 283.75 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 2301958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).