6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline

C15H19N3 — CID 103885682

IUPAC6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
SMILESC[C@H]1CN(Cc2ccc3ncccc3c2)CCN1
InChIInChI=1S/C15H19N3/c1-12-10-18(8-7-16-12)11-13-4-5-15-14(9-13)3-2-6-17-15/h2-6,9,12,16H,7-8,10-11H2,1H3/t12-/m0/s1
InChIKeyQFCISNDBWGXHQW-LBPRGKRZSA-N
MW241.34 g/mol
LogP2.03
Rot. Bonds2

About 6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline

6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline (PubChem CID 103885682) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
PubChem CID103885682
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
SMILESC[C@H]1CN(Cc2ccc3ncccc3c2)CCN1
InChIInChI=1S/C15H19N3/c1-12-10-18(8-7-16-12)11-13-4-5-15-14(9-13)3-2-6-17-15/h2-6,9,12,16H,7-8,10-11H2,1H3/t12-/m0/s1
InChIKeyQFCISNDBWGXHQW-LBPRGKRZSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-propylpiperazin-1-yl)methyl]quinoline
CID 64833799
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline
CID 105379000
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline
CID 114682261
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64833438
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 120908917
6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 64831911
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline?
The IUPAC name of 6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline (CID 103885682) is 6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline?
The canonical SMILES for 6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline is C[C@H]1CN(Cc2ccc3ncccc3c2)CCN1.
What is the InChIKey of 6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline?
The InChIKey is QFCISNDBWGXHQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-10-18(8-7-16-12)11-13-4-5-15-14(9-13)3-2-6-17-15/h2-6,9,12,16H,7-8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline?
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline has a molecular weight of 241.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 103885682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).