3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine

C13H20Cl2N4 — CID 60871429

IUPAC3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H20Cl2N4/c1-10(7-16)9-18-2-4-19(5-3-18)13-12(15)6-11(14)8-17-13/h6,8,10H,2-5,7,9,16H2,1H3
InChIKeyHXPLMRSJGSBDSP-UHFFFAOYSA-N
MW303.24 g/mol
LogP2.11
Rot. Bonds4

About 3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine

3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 60871429) has the molecular formula C13H20Cl2N4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID60871429
Molecular FormulaC13H20Cl2N4
Molecular Weight303.24 g/mol
Exact Mass302.11
IUPAC Name3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H20Cl2N4/c1-10(7-16)9-18-2-4-19(5-3-18)13-12(15)6-11(14)8-17-13/h6,8,10H,2-5,7,9,16H2,1H3
InChIKeyHXPLMRSJGSBDSP-UHFFFAOYSA-N
XLogP2.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 114868973
2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 119844372
3-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]butan-1-one
CID 119844408
(2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 51964109
5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 62775906
5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133499734
5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120898251
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
6-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 60870790
5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid
CID 99820439
1-(3,5-dichloro-2-pyridinyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 112772605
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 133297534

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 60871429) is 3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine is CC(CN)CN1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is HXPLMRSJGSBDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4/c1-10(7-16)9-18-2-4-19(5-3-18)13-12(15)6-11(14)8-17-13/h6,8,10H,2-5,7,9,16H2,1H3.
What are the key properties of 3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 303.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 60871429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).