1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone

C19H24N2O2 — CID 92534411

IUPAC1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C[C@H](O)Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C19H24N2O2/c1-14(22)21-10-7-15(8-11-21)12-17(23)13-16-6-9-20-19-5-3-2-4-18(16)19/h2-6,9,15,17,23H,7-8,10-13H2,1H3/t17-/m0/s1
InChIKeyXRFXZYKOGCSHGI-KRWDZBQOSA-N
MW312.41 g/mol
LogP2.79
Rot. Bonds4

About 1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone

1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone (PubChem CID 92534411) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone
PubChem CID92534411
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C[C@H](O)Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C19H24N2O2/c1-14(22)21-10-7-15(8-11-21)12-17(23)13-16-6-9-20-19-5-3-2-4-18(16)19/h2-6,9,15,17,23H,7-8,10-13H2,1H3/t17-/m0/s1
InChIKeyXRFXZYKOGCSHGI-KRWDZBQOSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
CID 115812509
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-ol
CID 103547520
1-cyclopropyl-2-quinolin-4-ylethanol
CID 63353390
pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090995
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
1-cyclobutyl-3-quinolin-4-ylpropan-2-amine
CID 103168915
(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 125009206
4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
CID 79087937
1-[4-[(2-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662189

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone (CID 92534411) is 1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C[C@H](O)Cc2ccnc3ccccc23)CC1.
What is the InChIKey of 1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone?
The InChIKey is XRFXZYKOGCSHGI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(22)21-10-7-15(8-11-21)12-17(23)13-16-6-9-20-19-5-3-2-4-18(16)19/h2-6,9,15,17,23H,7-8,10-13H2,1H3/t17-/m0/s1.
What are the key properties of 1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone?
1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone has a molecular weight of 312.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92534411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).