1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride

C13H20Cl3N3 — CID 171276521

IUPAC1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@H](C2CC2)N2CCNCC2)cn1
InChIInChI=1S/C13H18ClN3.2ClH/c14-12-4-3-11(9-16-12)13(10-1-2-10)17-7-5-15-6-8-17;;/h3-4,9-10,13,15H,1-2,5-8H2;2*1H/t13-;;/m0../s1
InChIKeyLTUUISITCNBQJP-GXKRWWSZSA-N
MW324.68 g/mol
LogP2.93
Rot. Bonds3

About 1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride

1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride (PubChem CID 171276521) has the molecular formula C13H20Cl3N3 and a molecular weight of 324.68 g/mol. Its IUPAC name is 1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride
PubChem CID171276521
Molecular FormulaC13H20Cl3N3
Molecular Weight324.68 g/mol
Exact Mass323.07
IUPAC Name1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@H](C2CC2)N2CCNCC2)cn1
InChIInChI=1S/C13H18ClN3.2ClH/c14-12-4-3-11(9-16-12)13(10-1-2-10)17-7-5-15-6-8-17;;/h3-4,9-10,13,15H,1-2,5-8H2;2*1H/t13-;;/m0../s1
InChIKeyLTUUISITCNBQJP-GXKRWWSZSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.68
LogP ≤ 52.93
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-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine
CID 87600785
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine
CID 171276536
1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride
CID 171289222
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine
CID 171289266
4-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzonitrile;dihydrochloride
CID 171285146
(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314290
1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
CID 171287672
1-[(S)-cyclopropyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine;dihydrochloride
CID 171277559

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride (CID 171276521) is 1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc([C@H](C2CC2)N2CCNCC2)cn1.
What is the InChIKey of 1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The InChIKey is LTUUISITCNBQJP-GXKRWWSZSA-N. The full InChI is InChI=1S/C13H18ClN3.2ClH/c14-12-4-3-11(9-16-12)13(10-1-2-10)17-7-5-15-6-8-17;;/h3-4,9-10,13,15H,1-2,5-8H2;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride?
1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride has a molecular weight of 324.68 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).