4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride

C11H21Cl3N4 — CID 68970925

IUPAC4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride
SMILESCl.Cl.Cl.NCC1(N)CCN(c2ccncc2)CC1
InChIInChI=1S/C11H18N4.3ClH/c12-9-11(13)3-7-15(8-4-11)10-1-5-14-6-2-10;;;/h1-2,5-6H,3-4,7-9,12-13H2;3*1H
InChIKeyDMUAAALJGDONNM-UHFFFAOYSA-N
MW315.68 g/mol
LogP1.60
Rot. Bonds2

About 4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride

4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride (PubChem CID 68970925) has the molecular formula C11H21Cl3N4 and a molecular weight of 315.68 g/mol. Its IUPAC name is 4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride
PubChem CID68970925
Molecular FormulaC11H21Cl3N4
Molecular Weight315.68 g/mol
Exact Mass314.08
IUPAC Name4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride
SMILESCl.Cl.Cl.NCC1(N)CCN(c2ccncc2)CC1
InChIInChI=1S/C11H18N4.3ClH/c12-9-11(13)3-7-15(8-4-11)10-1-5-14-6-2-10;;;/h1-2,5-6H,3-4,7-9,12-13H2;3*1H
InChIKeyDMUAAALJGDONNM-UHFFFAOYSA-N
XLogP1.60
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride?
The IUPAC name of 4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride (CID 68970925) is 4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride?
The canonical SMILES for 4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride is Cl.Cl.Cl.NCC1(N)CCN(c2ccncc2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride?
The InChIKey is DMUAAALJGDONNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4.3ClH/c12-9-11(13)3-7-15(8-4-11)10-1-5-14-6-2-10;;;/h1-2,5-6H,3-4,7-9,12-13H2;3*1H.
What are the key properties of 4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride?
4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride has a molecular weight of 315.68 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride is sourced from PubChem (CID 68970925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).