2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine

C15H23ClN2O — CID 134142579

IUPAC2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(OCc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O/c1-17-7-10-18-8-5-15(6-9-18)19-12-13-3-2-4-14(16)11-13/h2-4,11,15,17H,5-10,12H2,1H3
InChIKeyGMMYYQFKUWMMHS-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.54
Rot. Bonds6

About 2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine

2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine (PubChem CID 134142579) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
PubChem CID134142579
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(OCc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O/c1-17-7-10-18-8-5-15(6-9-18)19-12-13-3-2-4-14(16)11-13/h2-4,11,15,17H,5-10,12H2,1H3
InChIKeyGMMYYQFKUWMMHS-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine (CID 134142579) is 2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(OCc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
The InChIKey is GMMYYQFKUWMMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-17-7-10-18-8-5-15(6-9-18)19-12-13-3-2-4-14(16)11-13/h2-4,11,15,17H,5-10,12H2,1H3.
What are the key properties of 2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine has a molecular weight of 282.81 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 134142579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).