1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride

C13H22Cl3N3 — CID 171285648

IUPAC1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccncc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20ClN3.2ClH/c1-2-3-13(17-8-6-15-7-9-17)11-4-5-16-10-12(11)14;;/h4-5,10,13,15H,2-3,6-9H2,1H3;2*1H/t13-;;/m1../s1
InChIKeyZELQLWLOSBKEAQ-FFXKMJQXSA-N
MW326.70 g/mol
LogP3.33
Rot. Bonds4

About 1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride (PubChem CID 171285648) has the molecular formula C13H22Cl3N3 and a molecular weight of 326.70 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride
PubChem CID171285648
Molecular FormulaC13H22Cl3N3
Molecular Weight326.70 g/mol
Exact Mass325.09
IUPAC Name1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccncc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20ClN3.2ClH/c1-2-3-13(17-8-6-15-7-9-17)11-4-5-16-10-12(11)14;;/h4-5,10,13,15H,2-3,6-9H2,1H3;2*1H/t13-;;/m1../s1
InChIKeyZELQLWLOSBKEAQ-FFXKMJQXSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.70
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171289658
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289236
2-bromo-3-chloro-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300783
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166433
1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171273012
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
1-[(1S)-1-(2-iodophenyl)butyl]piperazine
CID 171280679
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171287330
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
CID 171288871
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride (CID 171285648) is 1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride is CCC[C@H](c1ccncc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride?
The InChIKey is ZELQLWLOSBKEAQ-FFXKMJQXSA-N. The full InChI is InChI=1S/C13H20ClN3.2ClH/c1-2-3-13(17-8-6-15-7-9-17)11-4-5-16-10-12(11)14;;/h4-5,10,13,15H,2-3,6-9H2,1H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride has a molecular weight of 326.70 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171285648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).