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

C24H29NO2 — CID 15925906

IUPAC[2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate
SMILESO=C(OC1CCCCC1N1CCC(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
InChIKeyFFBGIFBVWIAEIA-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.03
Rot. Bonds4

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

[2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate (PubChem CID 15925906) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is [2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate.

Molecular Properties

Compound Name[2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate
PubChem CID15925906
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name[2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate
SMILESO=C(OC1CCCCC1N1CCC(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
InChIKeyFFBGIFBVWIAEIA-UHFFFAOYSA-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

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CID 10770
Eprazinone
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Hexylcaine Hydrochloride
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CID 65630
Benzethidine
CID 62516
Piperocaine
CID 10782
Piperocaine Hydrochloride
CID 10781
Eprazinone Hydrochloride
CID 73356
4-[4-(Benzyloxy)piperidino]butyl-4-fluorobenzoate
CID 10221700
3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one
CID 10693838
3-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylpropan-1-one
CID 12017337

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate?
The IUPAC name of [2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate (CID 15925906) is [2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate.
What is the SMILES notation for [2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate?
The canonical SMILES for [2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate is O=C(OC1CCCCC1N1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate?
The InChIKey is FFBGIFBVWIAEIA-UHFFFAOYSA-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.
What are the key properties of [2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate?
[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 [2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate is sourced from PubChem (CID 15925906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).