[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine

C13H20ClN3 — CID 62330220

IUPAC[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCC1CCN(c2ncc(CN)cc2Cl)C(C)C1
InChIInChI=1S/C13H20ClN3/c1-9-3-4-17(10(2)5-9)13-12(14)6-11(7-15)8-16-13/h6,8-10H,3-5,7,15H2,1-2H3
InChIKeyNEUNLDKXDHNQBC-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.82
Rot. Bonds2

About [5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine

[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 62330220) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is [5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
PubChem CID62330220
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCC1CCN(c2ncc(CN)cc2Cl)C(C)C1
InChIInChI=1S/C13H20ClN3/c1-9-3-4-17(10(2)5-9)13-12(14)6-11(7-15)8-16-13/h6,8-10H,3-5,7,15H2,1-2H3
InChIKeyNEUNLDKXDHNQBC-UHFFFAOYSA-N
XLogP2.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine (CID 62330220) is [5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine is CC1CCN(c2ncc(CN)cc2Cl)C(C)C1.
What is the InChIKey of [5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is NEUNLDKXDHNQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-3-4-17(10(2)5-9)13-12(14)6-11(7-15)8-16-13/h6,8-10H,3-5,7,15H2,1-2H3.
What are the key properties of [5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine?
[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 253.78 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62330220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).