[(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate

C24H29NO2 — CID 40555068

IUPAC[(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate
SMILESO=C(O[C@@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H29NO2/c26-24(21-11-5-2-6-12-21)27-23-14-8-7-13-22(23)25-17-15-20(16-18-25)19-9-3-1-4-10-19/h1-6,9-12,20,22-23H,7-8,13-18H2/t22-,23+/m0/s1
InChIKeyFFBGIFBVWIAEIA-XZOQPEGZSA-N
MW363.50 g/mol
LogP5.03
Rot. Bonds4

About [(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate

[(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate (PubChem CID 40555068) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is [(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate.

Molecular Properties

Compound Name[(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate
PubChem CID40555068
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name[(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate
SMILESO=C(O[C@@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H29NO2/c26-24(21-11-5-2-6-12-21)27-23-14-8-7-13-22(23)25-17-15-20(16-18-25)19-9-3-1-4-10-19/h1-6,9-12,20,22-23H,7-8,13-18H2/t22-,23+/m0/s1
InChIKeyFFBGIFBVWIAEIA-XZOQPEGZSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-2-(3-phenylazetidin-1-yl)cyclohexyl] 4-nitrobenzoate
CID 169030309
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407
[(10S,10aR)-3-oxo-1,5,6,7,8,9,10,10a-octahydro-[1,3]oxazolo[3,4-a]azocin-10-yl] benzoate
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[(1S,2S)-2-bromocyclooctyl] benzoate
CID 135055560
[(1S,7S,9aS)-7-benzoyloxy-6-oxo-1,2,3,4,7,8,9,9a-octahydroquinolizin-1-yl] benzoate
CID 10385885
[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 54466721
[(4S,4aS,8aR)-1-benzoyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] benzoate
CID 5338357
(1-cyclobutylpiperidin-4-yl) benzoate
CID 174573868
[(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate
CID 139064912
[(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate
CID 10825295
(14-benzoyloxy-13-tricyclo[6.4.2.02,7]tetradecanyl) benzoate
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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate?
The IUPAC name of [(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate (CID 40555068) is [(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate.
What is the SMILES notation for [(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate?
The canonical SMILES for [(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate is O=C(O[C@@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate?
The InChIKey is FFBGIFBVWIAEIA-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H29NO2/c26-24(21-11-5-2-6-12-21)27-23-14-8-7-13-22(23)25-17-15-20(16-18-25)19-9-3-1-4-10-19/h1-6,9-12,20,22-23H,7-8,13-18H2/t22-,23+/m0/s1.
What are the key properties of [(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate?
[(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate has a molecular weight of 363.50 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate is sourced from PubChem (CID 40555068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).