6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline

C16H24N2 — CID 97030516

IUPAC6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1CCCCN1c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H24N2/c1-2-14-7-3-4-11-18(14)15-8-9-16-13(12-15)6-5-10-17-16/h8-9,12,14,17H,2-7,10-11H2,1H3/t14-/m0/s1
InChIKeyZYPCBMHDMVCDDU-AWEZNQCLSA-N
MW244.38 g/mol
LogP3.81
Rot. Bonds2

About 6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline

6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 97030516) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID97030516
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1CCCCN1c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H24N2/c1-2-14-7-3-4-11-18(14)15-8-9-16-13(12-15)6-5-10-17-16/h8-9,12,14,17H,2-7,10-11H2,1H3/t14-/m0/s1
InChIKeyZYPCBMHDMVCDDU-AWEZNQCLSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)morpholine
CID 81215510
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214611
8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 104690100
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215477
4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 81218135
(2-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 83052849
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 81197078
[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol
CID 61407456
[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline (CID 97030516) is 6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline is CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2.
What is the InChIKey of 6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZYPCBMHDMVCDDU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-14-7-3-4-11-18(14)15-8-9-16-13(12-15)6-5-10-17-16/h8-9,12,14,17H,2-7,10-11H2,1H3/t14-/m0/s1.
What are the key properties of 6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline?
6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 244.38 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 97030516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).