4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C16H24N2 — CID 63939942

IUPAC4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1CCCN(C2CNCc3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-2-13-6-5-9-18(12-13)16-11-17-10-14-7-3-4-8-15(14)16/h3-4,7-8,13,16-17H,2,5-6,9-12H2,1H3
InChIKeySYSHCIWMGSESNV-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.95
Rot. Bonds2

About 4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63939942) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID63939942
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1CCCN(C2CNCc3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-2-13-6-5-9-18(12-13)16-11-17-10-14-7-3-4-8-15(14)16/h3-4,7-8,13,16-17H,2,5-6,9-12H2,1H3
InChIKeySYSHCIWMGSESNV-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382
4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938389
2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-4-yl)morpholine
CID 63940701
4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane
CID 63939569
4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63940134
4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 63938599
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 102726652
N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
CID 103983445
4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938983
2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728467
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 63939942) is 4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CCC1CCCN(C2CNCc3ccccc32)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SYSHCIWMGSESNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-13-6-5-9-18(12-13)16-11-17-10-14-7-3-4-8-15(14)16/h3-4,7-8,13,16-17H,2,5-6,9-12H2,1H3.
What are the key properties of 4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 244.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63939942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).