1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride

C13H19Cl4N3 — CID 171289222

IUPAC1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@@H](C2CC2)N2CCNCC2)c(Cl)n1
InChIInChI=1S/C13H17Cl2N3.2ClH/c14-11-4-3-10(13(15)17-11)12(9-1-2-9)18-7-5-16-6-8-18;;/h3-4,9,12,16H,1-2,5-8H2;2*1H/t12-;;/m1../s1
InChIKeyPPUWIWSVGLYDEU-CURYUGHLSA-N
MW359.13 g/mol
LogP3.59
Rot. Bonds3

About 1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride (PubChem CID 171289222) has the molecular formula C13H19Cl4N3 and a molecular weight of 359.13 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride
PubChem CID171289222
Molecular FormulaC13H19Cl4N3
Molecular Weight359.13 g/mol
Exact Mass357.03
IUPAC Name1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@@H](C2CC2)N2CCNCC2)c(Cl)n1
InChIInChI=1S/C13H17Cl2N3.2ClH/c14-11-4-3-10(13(15)17-11)12(9-1-2-9)18-7-5-16-6-8-18;;/h3-4,9,12,16H,1-2,5-8H2;2*1H/t12-;;/m1../s1
InChIKeyPPUWIWSVGLYDEU-CURYUGHLSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.13
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171276762
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
CID 131439638
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
CID 131381916
1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171276521
1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171289649
1-[(S)-cyclopropyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171275931
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289236
1-[(R)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine
CID 171285765
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310090
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305239
1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine
CID 171273137
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171276766

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride (CID 171289222) is 1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc([C@@H](C2CC2)N2CCNCC2)c(Cl)n1.
What is the InChIKey of 1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride?
The InChIKey is PPUWIWSVGLYDEU-CURYUGHLSA-N. The full InChI is InChI=1S/C13H17Cl2N3.2ClH/c14-11-4-3-10(13(15)17-11)12(9-1-2-9)18-7-5-16-6-8-18;;/h3-4,9,12,16H,1-2,5-8H2;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride has a molecular weight of 359.13 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).