1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride

C12H21Cl2N3 — CID 3078153

IUPAC1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride
SMILESCC(C)c1cccc(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C12H19N3.2ClH/c1-10(2)11-4-3-5-12(14-11)15-8-6-13-7-9-15;;/h3-5,10,13H,6-9H2,1-2H3;2*1H
InChIKeyADCPCOCCADMHBU-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.46
Rot. Bonds2

About 1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride

1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride (PubChem CID 3078153) has the molecular formula C12H21Cl2N3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride
PubChem CID3078153
Molecular FormulaC12H21Cl2N3
Molecular Weight278.23 g/mol
Exact Mass277.11
IUPAC Name1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride
SMILESCC(C)c1cccc(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C12H19N3.2ClH/c1-10(2)11-4-3-5-12(14-11)15-8-6-13-7-9-15;;/h3-5,10,13H,6-9H2,1-2H3;2*1H
InChIKeyADCPCOCCADMHBU-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine
CID 24850786
2-(Piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 46228433
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)phenyl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91808024
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
6-[3-(Dimethylamino)propyl]-4-methylpyridin-2-amine
CID 158447563
4-Methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine
CID 158447564
4-Methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
CID 158447566
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714
Piperazine, 1-(2-pyridinyl)-, dihydrochloride
CID 3040476
6-(Propan-2-yl)pyridin-2-amine
CID 21725596

Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride?
The IUPAC name of 1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride (CID 3078153) is 1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride is CC(C)c1cccc(N2CCNCC2)n1.Cl.Cl.
What is the InChIKey of 1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride?
The InChIKey is ADCPCOCCADMHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.2ClH/c1-10(2)11-4-3-5-12(14-11)15-8-6-13-7-9-15;;/h3-5,10,13H,6-9H2,1-2H3;2*1H.
What are the key properties of 1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride?
1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride has a molecular weight of 278.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-yl-2-pyridinyl)piperazine;dihydrochloride is sourced from PubChem (CID 3078153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).