1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline

C16H24N2 — CID 86323488

IUPAC1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2CC[C@@H]1CCCNC1
InChIInChI=1S/C16H24N2/c1-2-8-16-15(6-1)7-4-11-18(16)12-9-14-5-3-10-17-13-14/h1-2,6,8,14,17H,3-5,7,9-13H2/t14-/m0/s1
InChIKeyPQCIXNOOSQFYGI-AWEZNQCLSA-N
MW244.38 g/mol
LogP2.83
Rot. Bonds3

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

1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline (PubChem CID 86323488) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
PubChem CID86323488
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2CC[C@@H]1CCCNC1
InChIInChI=1S/C16H24N2/c1-2-8-16-15(6-1)7-4-11-18(16)12-9-14-5-3-10-17-13-14/h1-2,6,8,14,17H,3-5,7,9-13H2/t14-/m0/s1
InChIKeyPQCIXNOOSQFYGI-AWEZNQCLSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride
CID 53408240
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]morpholine
CID 66426870
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
2-(piperidin-3-ylmethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525998
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 112507559
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 51907450
1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 66472298
1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
CID 28808284
1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]imidazolidin-2-one
CID 75434932

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline (CID 86323488) is 1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2CC[C@@H]1CCCNC1.
What is the InChIKey of 1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline?
The InChIKey is PQCIXNOOSQFYGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-8-16-15(6-1)7-4-11-18(16)12-9-14-5-3-10-17-13-14/h1-2,6,8,14,17H,3-5,7,9-13H2/t14-/m0/s1.
What are the key properties of 1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline?
1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline has a molecular weight of 244.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 86323488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).