cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate

C20H29NO2 — CID 10852843

IUPACcyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate
SMILESCCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1
InChIInChI=1S/C20H29NO2/c1-2-21-14-13-18(16-9-5-3-6-10-16)19(15-21)20(22)23-17-11-7-4-8-12-17/h3,5-6,9-10,17-19H,2,4,7-8,11-15H2,1H3/t18-,19+/m0/s1
InChIKeyWCEJBLSHLNKAQO-RBUKOAKNSA-N
MW315.46 g/mol
LogP3.99
Rot. Bonds4

About cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate

cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate (PubChem CID 10852843) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate
PubChem CID10852843
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Namecyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate
SMILESCCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1
InChIInChI=1S/C20H29NO2/c1-2-21-14-13-18(16-9-5-3-6-10-16)19(15-21)20(22)23-17-11-7-4-8-12-17/h3,5-6,9-10,17-19H,2,4,7-8,11-15H2,1H3/t18-,19+/m0/s1
InChIKeyWCEJBLSHLNKAQO-RBUKOAKNSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate?
The IUPAC name of cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate (CID 10852843) is cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate.
What is the SMILES notation for cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate?
The canonical SMILES for cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate is CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1.
What is the InChIKey of cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate?
The InChIKey is WCEJBLSHLNKAQO-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H29NO2/c1-2-21-14-13-18(16-9-5-3-6-10-16)19(15-21)20(22)23-17-11-7-4-8-12-17/h3,5-6,9-10,17-19H,2,4,7-8,11-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate?
cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate has a molecular weight of 315.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate is sourced from PubChem (CID 10852843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).