3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

C17H26N2 — CID 103496426

IUPAC3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CCN(C2CNc3ccccc3C2)CC1
InChIInChI=1S/C17H26N2/c1-13(2)14-7-9-19(10-8-14)16-11-15-5-3-4-6-17(15)18-12-16/h3-6,13-14,16,18H,7-12H2,1-2H3
InChIKeyKIWYUGFLJVCBQY-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.39
Rot. Bonds2

About 3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 103496426) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID103496426
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CCN(C2CNc3ccccc3C2)CC1
InChIInChI=1S/C17H26N2/c1-13(2)14-7-9-19(10-8-14)16-11-15-5-3-4-6-17(15)18-12-16/h3-6,13-14,16,18H,7-12H2,1-2H3
InChIKeyKIWYUGFLJVCBQY-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)piperidin-4-amine
CID 54861271
3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106902225
4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane
CID 62973234
3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 55061951
3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
CID 118462093
3-(4-methyl-1,4-diazepan-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103313979
3-imidazol-1-yl-1,2,3,4-tetrahydroquinoline
CID 54595708
2-(1,2,3,4-tetrahydroquinolin-3-yl)thiazinane 1,1-dioxide
CID 116814629
(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 103495813
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 103496426) is 3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is CC(C)C1CCN(C2CNc3ccccc3C2)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is KIWYUGFLJVCBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)14-7-9-19(10-8-14)16-11-15-5-3-4-6-17(15)18-12-16/h3-6,13-14,16,18H,7-12H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 258.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103496426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).