3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride

C14H26Cl2N4 — CID 171293862

IUPAC3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride
SMILESCC(C)(C)[C@H](c1cccnc1N)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H24N4.2ClH/c1-14(2,3)12(18-9-7-16-8-10-18)11-5-4-6-17-13(11)15;;/h4-6,12,16H,7-10H2,1-3H3,(H2,15,17);2*1H/t12-;;/m0../s1
InChIKeyLOGBFFIOSFFVRR-LTCKWSDVSA-N
MW321.30 g/mol
LogP2.50
Rot. Bonds2

About 3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride

3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride (PubChem CID 171293862) has the molecular formula C14H26Cl2N4 and a molecular weight of 321.30 g/mol. Its IUPAC name is 3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride
PubChem CID171293862
Molecular FormulaC14H26Cl2N4
Molecular Weight321.30 g/mol
Exact Mass320.15
IUPAC Name3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride
SMILESCC(C)(C)[C@H](c1cccnc1N)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H24N4.2ClH/c1-14(2,3)12(18-9-7-16-8-10-18)11-5-4-6-17-13(11)15;;/h4-6,12,16H,7-10H2,1-3H3,(H2,15,17);2*1H/t12-;;/m0../s1
InChIKeyLOGBFFIOSFFVRR-LTCKWSDVSA-N
XLogP2.50
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine
CID 171276504
3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine
CID 171281215
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273226
(3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307032
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055
1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171289935
1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170430
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine
CID 171293849
1-[(1S)-1-(2-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285753
1-[(1R)-1-(1,3-benzodioxol-4-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171294856
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171172325

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride?
The IUPAC name of 3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride (CID 171293862) is 3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride.
What is the SMILES notation for 3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride?
The canonical SMILES for 3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride is CC(C)(C)[C@H](c1cccnc1N)N1CCNCC1.Cl.Cl.
What is the InChIKey of 3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride?
The InChIKey is LOGBFFIOSFFVRR-LTCKWSDVSA-N. The full InChI is InChI=1S/C14H24N4.2ClH/c1-14(2,3)12(18-9-7-16-8-10-18)11-5-4-6-17-13(11)15;;/h4-6,12,16H,7-10H2,1-3H3,(H2,15,17);2*1H/t12-;;/m0../s1.
What are the key properties of 3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride?
3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride has a molecular weight of 321.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 171293862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).