1-piperidin-4-yl-4-propylpiperazine;trihydrochloride

C12H28Cl3N3 — CID 67163786

IUPAC1-piperidin-4-yl-4-propylpiperazine;trihydrochloride
SMILESCCCN1CCN(C2CCNCC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C12H25N3.3ClH/c1-2-7-14-8-10-15(11-9-14)12-3-5-13-6-4-12;;;/h12-13H,2-11H2,1H3;3*1H
InChIKeyKNCGZRFCQJLZDS-UHFFFAOYSA-N
MW320.74 g/mol
LogP2.03
Rot. Bonds3

About 1-piperidin-4-yl-4-propylpiperazine;trihydrochloride

1-piperidin-4-yl-4-propylpiperazine;trihydrochloride (PubChem CID 67163786) has the molecular formula C12H28Cl3N3 and a molecular weight of 320.74 g/mol. Its IUPAC name is 1-piperidin-4-yl-4-propylpiperazine;trihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-4-propylpiperazine;trihydrochloride
PubChem CID67163786
Molecular FormulaC12H28Cl3N3
Molecular Weight320.74 g/mol
Exact Mass319.13
IUPAC Name1-piperidin-4-yl-4-propylpiperazine;trihydrochloride
SMILESCCCN1CCN(C2CCNCC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C12H25N3.3ClH/c1-2-7-14-8-10-15(11-9-14)12-3-5-13-6-4-12;;;/h12-13H,2-11H2,1H3;3*1H
InChIKeyKNCGZRFCQJLZDS-UHFFFAOYSA-N
XLogP2.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4'-Bipiperidine
CID 78607
1-(2-Piperidinylmethyl)piperidine
CID 254290
1-Methyl-4-(piperidin-4-yl)piperazine
CID 795707
1-(Piperidin-4-yl)piperazine
CID 15386099
3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride
CID 18910
3-methyl-octahydro-1H-pyrido(1,2-a)piperazine
CID 45099409
1-(1-Methyl-4-piperidinyl)piperazine
CID 566324
1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 2761147
1-(Piperidin-4-yl)-4-(propan-2-yl)piperazine
CID 28283030
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734
1-(1-Methylpiperidin-4-yl)piperidin-4-amine
CID 22964505
1-Ethyl-4-piperidin-4-ylpiperazine
CID 535780

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4-propylpiperazine;trihydrochloride?
The IUPAC name of 1-piperidin-4-yl-4-propylpiperazine;trihydrochloride (CID 67163786) is 1-piperidin-4-yl-4-propylpiperazine;trihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-4-propylpiperazine;trihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-4-propylpiperazine;trihydrochloride is CCCN1CCN(C2CCNCC2)CC1.Cl.Cl.Cl.
What is the InChIKey of 1-piperidin-4-yl-4-propylpiperazine;trihydrochloride?
The InChIKey is KNCGZRFCQJLZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.3ClH/c1-2-7-14-8-10-15(11-9-14)12-3-5-13-6-4-12;;;/h12-13H,2-11H2,1H3;3*1H.
What are the key properties of 1-piperidin-4-yl-4-propylpiperazine;trihydrochloride?
1-piperidin-4-yl-4-propylpiperazine;trihydrochloride has a molecular weight of 320.74 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4-propylpiperazine;trihydrochloride is sourced from PubChem (CID 67163786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).