[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine

C13H19ClN2O — CID 63082823

IUPAC[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
SMILESCOC1CCN(c2cc(Cl)ccc2CN)CC1
InChIInChI=1S/C13H19ClN2O/c1-17-12-4-6-16(7-5-12)13-8-11(14)3-2-10(13)9-15/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyCYMNIQCJBIALSZ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.41
Rot. Bonds3

About [4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine

[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine (PubChem CID 63082823) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
PubChem CID63082823
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
SMILESCOC1CCN(c2cc(Cl)ccc2CN)CC1
InChIInChI=1S/C13H19ClN2O/c1-17-12-4-6-16(7-5-12)13-8-11(14)3-2-10(13)9-15/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyCYMNIQCJBIALSZ-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine (CID 63082823) is [4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine is COC1CCN(c2cc(Cl)ccc2CN)CC1.
What is the InChIKey of [4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine?
The InChIKey is CYMNIQCJBIALSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-17-12-4-6-16(7-5-12)13-8-11(14)3-2-10(13)9-15/h2-3,8,12H,4-7,9,15H2,1H3.
What are the key properties of [4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine?
[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine has a molecular weight of 254.76 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63082823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).