8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline

C15H19N3 — CID 96915582

IUPAC8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline
SMILESC[C@@H]1CN[C@@H](C)CN1c1cccc2cccnc12
InChIInChI=1S/C15H19N3/c1-11-10-18(12(2)9-17-11)14-7-3-5-13-6-4-8-16-15(13)14/h3-8,11-12,17H,9-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyDNZVKOLTZUWBEP-NWDGAFQWSA-N
MW241.34 g/mol
LogP2.42
Rot. Bonds1

About 8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline

8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline (PubChem CID 96915582) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline.

Molecular Properties

Compound Name8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline
PubChem CID96915582
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline
SMILESC[C@@H]1CN[C@@H](C)CN1c1cccc2cccnc12
InChIInChI=1S/C15H19N3/c1-11-10-18(12(2)9-17-11)14-7-3-5-13-6-4-8-16-15(13)14/h3-8,11-12,17H,9-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyDNZVKOLTZUWBEP-NWDGAFQWSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline?
The IUPAC name of 8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline (CID 96915582) is 8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline.
What is the SMILES notation for 8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline?
The canonical SMILES for 8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline is C[C@@H]1CN[C@@H](C)CN1c1cccc2cccnc12.
What is the InChIKey of 8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline?
The InChIKey is DNZVKOLTZUWBEP-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-10-18(12(2)9-17-11)14-7-3-5-13-6-4-8-16-15(13)14/h3-8,11-12,17H,9-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline?
8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline has a molecular weight of 241.34 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline is sourced from PubChem (CID 96915582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).