(1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride

C12H20ClN3 — CID 86263103

IUPAC(1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride
SMILESCN1CCC(C(N)c2ccccn2)CC1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-15-8-5-10(6-9-15)12(13)11-4-2-3-7-14-11;/h2-4,7,10,12H,5-6,8-9,13H2,1H3;1H
InChIKeyGPLYOTUEWTVZMJ-UHFFFAOYSA-N
MW241.77 g/mol
LogP1.85
Rot. Bonds2

About (1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride

(1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride (PubChem CID 86263103) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride
PubChem CID86263103
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name(1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride
SMILESCN1CCC(C(N)c2ccccn2)CC1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-15-8-5-10(6-9-15)12(13)11-4-2-3-7-14-11;/h2-4,7,10,12H,5-6,8-9,13H2,1H3;1H
InChIKeyGPLYOTUEWTVZMJ-UHFFFAOYSA-N
XLogP1.85
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride (CID 86263103) is (1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride is CN1CCC(C(N)c2ccccn2)CC1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride?
The InChIKey is GPLYOTUEWTVZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.ClH/c1-15-8-5-10(6-9-15)12(13)11-4-2-3-7-14-11;/h2-4,7,10,12H,5-6,8-9,13H2,1H3;1H.
What are the key properties of (1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride?
(1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride has a molecular weight of 241.77 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 86263103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).