2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride

C11H17Cl3N4 — CID 163329752

IUPAC2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
SMILESCl.Cl.Cl.N#Cc1cccnc1N1CCC(N)CC1
InChIInChI=1S/C11H14N4.3ClH/c12-8-9-2-1-5-14-11(9)15-6-3-10(13)4-7-15;;;/h1-2,5,10H,3-4,6-7,13H2;3*1H
InChIKeyNCSZYKQKSJJSOL-UHFFFAOYSA-N
MW311.64 g/mol
LogP2.15
Rot. Bonds1

About 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride

2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride (PubChem CID 163329752) has the molecular formula C11H17Cl3N4 and a molecular weight of 311.64 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
PubChem CID163329752
Molecular FormulaC11H17Cl3N4
Molecular Weight311.64 g/mol
Exact Mass310.05
IUPAC Name2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
SMILESCl.Cl.Cl.N#Cc1cccnc1N1CCC(N)CC1
InChIInChI=1S/C11H14N4.3ClH/c12-8-9-2-1-5-14-11(9)15-6-3-10(13)4-7-15;;;/h1-2,5,10H,3-4,6-7,13H2;3*1H
InChIKeyNCSZYKQKSJJSOL-UHFFFAOYSA-N
XLogP2.15
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
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2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 115307500
1-(3-chloro-2-pyridinyl)piperidin-4-amine;hydrochloride
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2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 166209187
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66879804
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride (CID 163329752) is 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride is Cl.Cl.Cl.N#Cc1cccnc1N1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride?
The InChIKey is NCSZYKQKSJJSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.3ClH/c12-8-9-2-1-5-14-11(9)15-6-3-10(13)4-7-15;;;/h1-2,5,10H,3-4,6-7,13H2;3*1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride?
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride has a molecular weight of 311.64 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride is sourced from PubChem (CID 163329752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).