4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

C18H28N2 — CID 83055722

IUPAC4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CCCCN1CC1CCNc2ccccc21
InChIInChI=1S/C18H28N2/c1-2-7-16-8-5-6-13-20(16)14-15-11-12-19-18-10-4-3-9-17(15)18/h3-4,9-10,15-16,19H,2,5-8,11-14H2,1H3
InChIKeyJSHKZNKUNJEARS-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.24
Rot. Bonds4

About 4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 83055722) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID83055722
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CCCCN1CC1CCNc2ccccc21
InChIInChI=1S/C18H28N2/c1-2-7-16-8-5-6-13-20(16)14-15-11-12-19-18-10-4-3-9-17(15)18/h3-4,9-10,15-16,19H,2,5-8,11-14H2,1H3
InChIKeyJSHKZNKUNJEARS-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-propylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 83055716
3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80566561
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 83219065
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 83056110
4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
CID 119093179
4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63866891
4-[2-(4-ethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63867355
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine
CID 104769014
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 83062606

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 83055722) is 4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is CCCC1CCCCN1CC1CCNc2ccccc21.
What is the InChIKey of 4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is JSHKZNKUNJEARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-7-16-8-5-6-13-20(16)14-15-11-12-19-18-10-4-3-9-17(15)18/h3-4,9-10,15-16,19H,2,5-8,11-14H2,1H3.
What are the key properties of 4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 272.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 83055722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).