2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride

C16H22Cl3N3 — CID 171296088

IUPAC2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
SMILESCC[C@H](c1cc2ccccc2nc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H20ClN3.2ClH/c1-2-15(20-9-7-18-8-10-20)13-11-12-5-3-4-6-14(12)19-16(13)17;;/h3-6,11,15,18H,2,7-10H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyAPTRKLHUTARQKX-QCUBGVIVSA-N
MW362.73 g/mol
LogP4.09
Rot. Bonds3

About 2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride

2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride (PubChem CID 171296088) has the molecular formula C16H22Cl3N3 and a molecular weight of 362.73 g/mol. Its IUPAC name is 2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride.

Molecular Properties

Compound Name2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
PubChem CID171296088
Molecular FormulaC16H22Cl3N3
Molecular Weight362.73 g/mol
Exact Mass361.09
IUPAC Name2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
SMILESCC[C@H](c1cc2ccccc2nc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H20ClN3.2ClH/c1-2-15(20-9-7-18-8-10-20)13-11-12-5-3-4-6-14(12)19-16(13)17;;/h3-6,11,15,18H,2,7-10H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyAPTRKLHUTARQKX-QCUBGVIVSA-N
XLogP4.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.73
LogP ≤ 54.09
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

2-chloro-3-[(1R)-1-piperazin-1-ylhexyl]quinoline
CID 171308399
2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline
CID 171311279
2-chloro-3-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171303153
2-chloro-3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]quinoline
CID 171303150
2-chloro-3-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]quinoline
CID 171296091
1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
CID 92754288
2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171284605
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289236
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677014

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride?
The IUPAC name of 2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride (CID 171296088) is 2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride.
What is the SMILES notation for 2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride?
The canonical SMILES for 2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride is CC[C@H](c1cc2ccccc2nc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride?
The InChIKey is APTRKLHUTARQKX-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H20ClN3.2ClH/c1-2-15(20-9-7-18-8-10-20)13-11-12-5-3-4-6-14(12)19-16(13)17;;/h3-6,11,15,18H,2,7-10H2,1H3;2*1H/t15-;;/m1../s1.
What are the key properties of 2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride?
2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride has a molecular weight of 362.73 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride is sourced from PubChem (CID 171296088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).