3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline

C15H22N2 — CID 118462093

IUPAC3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCN1CCC(C2CNc3ccccc3C2)CC1
InChIInChI=1S/C15H22N2/c1-17-8-6-12(7-9-17)14-10-13-4-2-3-5-15(13)16-11-14/h2-5,12,14,16H,6-11H2,1H3
InChIKeyVFKUZJWHWVZDEN-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.61
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline

3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 118462093) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID118462093
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCN1CCC(C2CNc3ccccc3C2)CC1
InChIInChI=1S/C15H22N2/c1-17-8-6-12(7-9-17)14-10-13-4-2-3-5-15(13)16-11-14/h2-5,12,14,16H,6-11H2,1H3
InChIKeyVFKUZJWHWVZDEN-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902774
3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 106779729
3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 106779223
3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline
CID 90720554
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
N,N-dimethyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)piperidin-4-amine
CID 54861271
3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 103496426
3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 55061951
3-(4-methyl-1,4-diazepan-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103313979
3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106901956
3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline
CID 106780797
3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 155943544

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline (CID 118462093) is 3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline is CN1CCC(C2CNc3ccccc3C2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is VFKUZJWHWVZDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-8-6-12(7-9-17)14-10-13-4-2-3-5-15(13)16-11-14/h2-5,12,14,16H,6-11H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline?
3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 230.36 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 118462093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).