(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate

C14H25NO2 — CID 79034769

IUPAC(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate
SMILESCCC1CCCC(OC(=O)[C@H]2CCCCN2)C1
InChIInChI=1S/C14H25NO2/c1-2-11-6-5-7-12(10-11)17-14(16)13-8-3-4-9-15-13/h11-13,15H,2-10H2,1H3/t11?,12?,13-/m1/s1
InChIKeyNJCDLGAEPPEGPV-WXRRBKDZSA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds3

About (3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate

(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate (PubChem CID 79034769) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate.

Molecular Properties

Compound Name(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate
PubChem CID79034769
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate
SMILESCCC1CCCC(OC(=O)[C@H]2CCCCN2)C1
InChIInChI=1S/C14H25NO2/c1-2-11-6-5-7-12(10-11)17-14(16)13-8-3-4-9-15-13/h11-13,15H,2-10H2,1H3/t11?,12?,13-/m1/s1
InChIKeyNJCDLGAEPPEGPV-WXRRBKDZSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate
CID 114430087
(3-ethylcyclohexyl) (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712694
cycloheptyl (2R)-piperidine-2-carboxylate
CID 79034969
(3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate
CID 81121055
(3,5-dimethylcyclohexyl) piperidine-2-carboxylate
CID 64732036
(2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate
CID 66263376
cycloheptyl azetidine-2-carboxylate
CID 131025825
2-cyclobutylethyl (2S)-piperidine-2-carboxylate
CID 106202846
(2,6-dimethyloxan-4-yl) 4-ethylpiperidine-2-carboxylate
CID 114430100
propyl piperidine-2-carboxylate
CID 43248024
(3-ethylcyclohexyl) (2R)-2-aminopropanoate
CID 78967083
(3-ethylcyclohexyl) 2-methylidenebutanoate
CID 156770755

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate?
The IUPAC name of (3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate (CID 79034769) is (3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate.
What is the SMILES notation for (3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate?
The canonical SMILES for (3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate is CCC1CCCC(OC(=O)[C@H]2CCCCN2)C1.
What is the InChIKey of (3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate?
The InChIKey is NJCDLGAEPPEGPV-WXRRBKDZSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-11-6-5-7-12(10-11)17-14(16)13-8-3-4-9-15-13/h11-13,15H,2-10H2,1H3/t11?,12?,13-/m1/s1.
What are the key properties of (3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate?
(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate is sourced from PubChem (CID 79034769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).