1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride

C10H20Cl3N3 — CID 67530633

IUPAC1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride
SMILESCl.Cl.Cl.NC1C=CC=CN1C1CCNCC1
InChIInChI=1S/C10H17N3.3ClH/c11-10-3-1-2-8-13(10)9-4-6-12-7-5-9;;;/h1-3,8-10,12H,4-7,11H2;3*1H
InChIKeyFXBSNIQIYNGKQP-UHFFFAOYSA-N
MW288.65 g/mol
LogP1.67
Rot. Bonds1

About 1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride

1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride (PubChem CID 67530633) has the molecular formula C10H20Cl3N3 and a molecular weight of 288.65 g/mol. Its IUPAC name is 1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride
PubChem CID67530633
Molecular FormulaC10H20Cl3N3
Molecular Weight288.65 g/mol
Exact Mass287.07
IUPAC Name1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride
SMILESCl.Cl.Cl.NC1C=CC=CN1C1CCNCC1
InChIInChI=1S/C10H17N3.3ClH/c11-10-3-1-2-8-13(10)9-4-6-12-7-5-9;;;/h1-3,8-10,12H,4-7,11H2;3*1H
InChIKeyFXBSNIQIYNGKQP-UHFFFAOYSA-N
XLogP1.67
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.65
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride?
The IUPAC name of 1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride (CID 67530633) is 1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride is Cl.Cl.Cl.NC1C=CC=CN1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride?
The InChIKey is FXBSNIQIYNGKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.3ClH/c11-10-3-1-2-8-13(10)9-4-6-12-7-5-9;;;/h1-3,8-10,12H,4-7,11H2;3*1H.
What are the key properties of 1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride?
1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride has a molecular weight of 288.65 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride is sourced from PubChem (CID 67530633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).