(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride

C11H20Cl3N3 — CID 53256507

IUPAC(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
SMILESCl.Cl.Cl.c1cc(CN[C@@H]2CCCNC2)ccn1
InChIInChI=1S/C11H17N3.3ClH/c1-2-11(9-13-5-1)14-8-10-3-6-12-7-4-10;;;/h3-4,6-7,11,13-14H,1-2,5,8-9H2;3*1H/t11-;;;/m1.../s1
InChIKeyYUQSOQJXHXROQO-HCEFKKQBSA-N
MW300.66 g/mol
LogP2.19
Rot. Bonds3

About (3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride

(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride (PubChem CID 53256507) has the molecular formula C11H20Cl3N3 and a molecular weight of 300.66 g/mol. Its IUPAC name is (3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride.

Molecular Properties

Compound Name(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
PubChem CID53256507
Molecular FormulaC11H20Cl3N3
Molecular Weight300.66 g/mol
Exact Mass299.07
IUPAC Name(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
SMILESCl.Cl.Cl.c1cc(CN[C@@H]2CCCNC2)ccn1
InChIInChI=1S/C11H17N3.3ClH/c1-2-11(9-13-5-1)14-8-10-3-6-12-7-4-10;;;/h3-4,6-7,11,13-14H,1-2,5,8-9H2;3*1H/t11-;;;/m1.../s1
InChIKeyYUQSOQJXHXROQO-HCEFKKQBSA-N
XLogP2.19
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71636461
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
CID 71636466
(3R)-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 71636732
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
N-[[4-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-amine
CID 138001952
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride
CID 71640488

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride?
The IUPAC name of (3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride (CID 53256507) is (3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride.
What is the SMILES notation for (3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride?
The canonical SMILES for (3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride is Cl.Cl.Cl.c1cc(CN[C@@H]2CCCNC2)ccn1.
What is the InChIKey of (3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride?
The InChIKey is YUQSOQJXHXROQO-HCEFKKQBSA-N. The full InChI is InChI=1S/C11H17N3.3ClH/c1-2-11(9-13-5-1)14-8-10-3-6-12-7-4-10;;;/h3-4,6-7,11,13-14H,1-2,5,8-9H2;3*1H/t11-;;;/m1.../s1.
What are the key properties of (3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride?
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride has a molecular weight of 300.66 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride is sourced from PubChem (CID 53256507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).