2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline

C16H24N2 — CID 86323482

IUPAC2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CC[C@H]1CCCNC1)C2
InChIInChI=1S/C16H24N2/c1-2-6-16-13-18(11-8-15(16)5-1)10-7-14-4-3-9-17-12-14/h1-2,5-6,14,17H,3-4,7-13H2/t14-/m1/s1
InChIKeyZWSWMTUJAXTPMR-CQSZACIVSA-N
MW244.38 g/mol
LogP2.43
Rot. Bonds3

About 2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline

2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 86323482) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID86323482
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CC[C@H]1CCCNC1)C2
InChIInChI=1S/C16H24N2/c1-2-6-16-13-18(11-8-15(16)5-1)10-7-14-4-3-9-17-12-14/h1-2,5-6,14,17H,3-4,7-13H2/t14-/m1/s1
InChIKeyZWSWMTUJAXTPMR-CQSZACIVSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride
CID 53408240
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 86323488
N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
CID 119979174
2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole
CID 116679908
2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408872
2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153568
6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120850519
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
CID 119930578
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 72846881

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline (CID 86323482) is 2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(CC[C@H]1CCCNC1)C2.
What is the InChIKey of 2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZWSWMTUJAXTPMR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-6-16-13-18(11-8-15(16)5-1)10-7-14-4-3-9-17-12-14/h1-2,5-6,14,17H,3-4,7-13H2/t14-/m1/s1.
What are the key properties of 2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline?
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 244.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 86323482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).