1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride

C12H22Cl3N3 — CID 86694323

IUPAC1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
SMILESCl.Cl.Cl.c1cncc(CCCN2CCNCC2)c1
InChIInChI=1S/C12H19N3.3ClH/c1-3-12(11-14-5-1)4-2-8-15-9-6-13-7-10-15;;;/h1,3,5,11,13H,2,4,6-10H2;3*1H
InChIKeyYKMGMBFUBDFJMC-UHFFFAOYSA-N
MW314.69 g/mol
LogP2.18
Rot. Bonds4

About 1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride

1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride (PubChem CID 86694323) has the molecular formula C12H22Cl3N3 and a molecular weight of 314.69 g/mol. Its IUPAC name is 1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride.

Molecular Properties

Compound Name1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
PubChem CID86694323
Molecular FormulaC12H22Cl3N3
Molecular Weight314.69 g/mol
Exact Mass313.09
IUPAC Name1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
SMILESCl.Cl.Cl.c1cncc(CCCN2CCNCC2)c1
InChIInChI=1S/C12H19N3.3ClH/c1-3-12(11-14-5-1)4-2-8-15-9-6-13-7-10-15;;;/h1,3,5,11,13H,2,4,6-10H2;3*1H
InChIKeyYKMGMBFUBDFJMC-UHFFFAOYSA-N
XLogP2.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 115240414
5-(4-piperazin-1-ylbutyl)pyrimidine
CID 121009202
N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
CID 115240359
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
1-(4-fluorophenyl)-4-(3-pyridin-3-ylpropyl)-1,4-diazepane
CID 171906407
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride?
The IUPAC name of 1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride (CID 86694323) is 1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride.
What is the SMILES notation for 1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride?
The canonical SMILES for 1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride is Cl.Cl.Cl.c1cncc(CCCN2CCNCC2)c1.
What is the InChIKey of 1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride?
The InChIKey is YKMGMBFUBDFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.3ClH/c1-3-12(11-14-5-1)4-2-8-15-9-6-13-7-10-15;;;/h1,3,5,11,13H,2,4,6-10H2;3*1H.
What are the key properties of 1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride?
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride has a molecular weight of 314.69 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride is sourced from PubChem (CID 86694323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).