N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride

C11H20Cl3N3 — CID 162422883

IUPACN-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
SMILESCl.Cl.Cl.c1ccc(NCC2CCNCC2)nc1
InChIInChI=1S/C11H17N3.3ClH/c1-2-6-13-11(3-1)14-9-10-4-7-12-8-5-10;;;/h1-3,6,10,12H,4-5,7-9H2,(H,13,14);3*1H
InChIKeySWDJIHRREYTFNO-UHFFFAOYSA-N
MW300.66 g/mol
LogP2.76
Rot. Bonds3

About N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride

N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride (PubChem CID 162422883) has the molecular formula C11H20Cl3N3 and a molecular weight of 300.66 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
PubChem CID162422883
Molecular FormulaC11H20Cl3N3
Molecular Weight300.66 g/mol
Exact Mass299.07
IUPAC NameN-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
SMILESCl.Cl.Cl.c1ccc(NCC2CCNCC2)nc1
InChIInChI=1S/C11H17N3.3ClH/c1-2-6-13-11(3-1)14-9-10-4-7-12-8-5-10;;;/h1-3,6,10,12H,4-5,7-9H2,(H,13,14);3*1H
InChIKeySWDJIHRREYTFNO-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
CID 69426435
N-[[4-(methylamino)cyclohexyl]methyl]pyridin-2-amine
CID 115213588
2-piperidin-4-yl-N-pyridin-2-ylacetamide;dihydrochloride
CID 119827189
5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71636378
cyclopropanecarbaldehyde;N-(cyclopropylmethyl)pyridin-2-amine
CID 157157680
3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride
CID 162422902
2-N-(piperidin-4-ylmethyl)pyridine-2,5-diamine
CID 117044535
2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 56768213
5-(piperidin-4-ylmethoxy)-N-pyridin-2-ylpyridin-2-amine
CID 175740892
N-(piperidin-4-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 126724513
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine
CID 61012196
1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea
CID 117235346

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride?
The IUPAC name of N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride (CID 162422883) is N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride.
What is the SMILES notation for N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride?
The canonical SMILES for N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride is Cl.Cl.Cl.c1ccc(NCC2CCNCC2)nc1.
What is the InChIKey of N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride?
The InChIKey is SWDJIHRREYTFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.3ClH/c1-2-6-13-11(3-1)14-9-10-4-7-12-8-5-10;;;/h1-3,6,10,12H,4-5,7-9H2,(H,13,14);3*1H.
What are the key properties of N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride?
N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride has a molecular weight of 300.66 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride is sourced from PubChem (CID 162422883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).