2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C17H32N2 — CID 66468808

IUPAC2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCCC1CCCN(CC2CCC3CCCCC3N2)C1
InChIInChI=1S/C17H32N2/c1-2-14-6-5-11-19(12-14)13-16-10-9-15-7-3-4-8-17(15)18-16/h14-18H,2-13H2,1H3
InChIKeyOUJYNRUFAGIEFM-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.42
Rot. Bonds3

About 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 66468808) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID66468808
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCCC1CCCN(CC2CCC3CCCCC3N2)C1
InChIInChI=1S/C17H32N2/c1-2-14-6-5-11-19(12-14)13-16-10-9-15-7-3-4-8-17(15)18-16/h14-18H,2-13H2,1H3
InChIKeyOUJYNRUFAGIEFM-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline with MolForge

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Related Compounds

2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66470223
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
2-(azocan-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 43211928
2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 43199753
3-ethyl-1-[(4-fluorocyclohexyl)methyl]piperidine
CID 163155823
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpiperidin-1-yl)methanone
CID 43584539
3-cyclohexyl-1-(cyclohexylmethyl)piperidine
CID 143571203
3-ethyl-1-(2-piperidin-2-ylethyl)piperidine
CID 43584590
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
1-(2,2-dimethoxyethyl)-3-ethylpiperidine
CID 66221675

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 66468808) is 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CCC1CCCN(CC2CCC3CCCCC3N2)C1.
What is the InChIKey of 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is OUJYNRUFAGIEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-14-6-5-11-19(12-14)13-16-10-9-15-7-3-4-8-17(15)18-16/h14-18H,2-13H2,1H3.
What are the key properties of 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 264.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 66468808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).