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

C18H23N3 — CID 64831911

IUPAC6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
SMILESCC1(C2CC2)CN(Cc2ccc3ncccc3c2)CCN1
InChIInChI=1S/C18H23N3/c1-18(16-5-6-16)13-21(10-9-20-18)12-14-4-7-17-15(11-14)3-2-8-19-17/h2-4,7-8,11,16,20H,5-6,9-10,12-13H2,1H3
InChIKeyTWBHEKFOYLSVKS-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.81
Rot. Bonds3

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

6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline (PubChem CID 64831911) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
PubChem CID64831911
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
SMILESCC1(C2CC2)CN(Cc2ccc3ncccc3c2)CCN1
InChIInChI=1S/C18H23N3/c1-18(16-5-6-16)13-21(10-9-20-18)12-14-4-7-17-15(11-14)3-2-8-19-17/h2-4,7-8,11,16,20H,5-6,9-10,12-13H2,1H3
InChIKeyTWBHEKFOYLSVKS-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64833438
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpiperazine
CID 64832099
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
CID 105409901
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682
3-cyclopropyl-3-methyl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64871682
6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline
CID 64940952
6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline
CID 114682261
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
6-[(3-propylpiperazin-1-yl)methyl]quinoline
CID 64833799
3-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64869909

Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline (CID 64831911) is 6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline is CC1(C2CC2)CN(Cc2ccc3ncccc3c2)CCN1.
What is the InChIKey of 6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline?
The InChIKey is TWBHEKFOYLSVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-18(16-5-6-16)13-21(10-9-20-18)12-14-4-7-17-15(11-14)3-2-8-19-17/h2-4,7-8,11,16,20H,5-6,9-10,12-13H2,1H3.
What are the key properties of 6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline?
6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline has a molecular weight of 281.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 64831911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).