1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride

C11H26Cl3N3 — CID 71757617

IUPAC1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride
SMILESCC1CC(N2CCNCC2)CCN1C.Cl.Cl.Cl
InChIInChI=1S/C11H23N3.3ClH/c1-10-9-11(3-6-13(10)2)14-7-4-12-5-8-14;;;/h10-12H,3-9H2,1-2H3;3*1H
InChIKeyKXHHJWUJAAWOJB-UHFFFAOYSA-N
MW306.71 g/mol
LogP1.64
Rot. Bonds1

About 1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride

1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride (PubChem CID 71757617) has the molecular formula C11H26Cl3N3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride.

Molecular Properties

Compound Name1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride
PubChem CID71757617
Molecular FormulaC11H26Cl3N3
Molecular Weight306.71 g/mol
Exact Mass305.12
IUPAC Name1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride
SMILESCC1CC(N2CCNCC2)CCN1C.Cl.Cl.Cl
InChIInChI=1S/C11H23N3.3ClH/c1-10-9-11(3-6-13(10)2)14-7-4-12-5-8-14;;;/h10-12H,3-9H2,1-2H3;3*1H
InChIKeyKXHHJWUJAAWOJB-UHFFFAOYSA-N
XLogP1.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride?
The IUPAC name of 1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride (CID 71757617) is 1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride.
What is the SMILES notation for 1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride?
The canonical SMILES for 1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride is CC1CC(N2CCNCC2)CCN1C.Cl.Cl.Cl.
What is the InChIKey of 1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride?
The InChIKey is KXHHJWUJAAWOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3.3ClH/c1-10-9-11(3-6-13(10)2)14-7-4-12-5-8-14;;;/h10-12H,3-9H2,1-2H3;3*1H.
What are the key properties of 1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride?
1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride has a molecular weight of 306.71 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylpiperidin-4-yl)piperazine;trihydrochloride is sourced from PubChem (CID 71757617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).