ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate

C20H29NO2 — CID 784294

IUPACethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H29NO2/c1-2-23-20(22)19-10-6-7-15-21(19)18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3/t17?,18?,19-/m1/s1
InChIKeyUQNZQQKNENFRRR-CTWPCTMYSA-N
MW315.46 g/mol
LogP4.13
Rot. Bonds4

About ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate

ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate (PubChem CID 784294) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate
PubChem CID784294
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Nameethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H29NO2/c1-2-23-20(22)19-10-6-7-15-21(19)18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3/t17?,18?,19-/m1/s1
InChIKeyUQNZQQKNENFRRR-CTWPCTMYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
CID 2846487
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-4-carboxylate
CID 68891069
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl (5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10965477
ethyl 1-(2-hydroxycyclopentyl)piperidine-2-carboxylate
CID 115279765
ethyl 1-(2-hydroxycyclohexyl)pyrrolidine-2-carboxylate
CID 62028179
ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate
CID 115539291
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate
CID 171060032
ethyl 4-oxo-4-(4-phenylcyclohexyl)butanoate
CID 174381996
ethyl 2-oxo-2-(3-phenylazepan-1-yl)acetate
CID 90608416
ethyl 1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylate
CID 79490156

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate (CID 784294) is ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate is CCOC(=O)[C@H]1CCCCN1C1CCC(c2ccccc2)CC1.
What is the InChIKey of ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate?
The InChIKey is UQNZQQKNENFRRR-CTWPCTMYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-2-23-20(22)19-10-6-7-15-21(19)18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3/t17?,18?,19-/m1/s1.
What are the key properties of ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate?
ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate has a molecular weight of 315.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate is sourced from PubChem (CID 784294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).