(2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate

C14H25NO2 — CID 66263376

IUPAC(2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate
SMILESCCC1CCCCC1OC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C14H25NO2/c1-2-11-7-3-4-9-13(11)17-14(16)12-8-5-6-10-15-12/h11-13,15H,2-10H2,1H3/t11?,12-,13?/m0/s1
InChIKeyXYUBTPPQDDUEOG-CPCZMJQVSA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds3

About (2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate

(2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate (PubChem CID 66263376) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate
PubChem CID66263376
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate
SMILESCCC1CCCCC1OC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C14H25NO2/c1-2-11-7-3-4-9-13(11)17-14(16)12-8-5-6-10-15-12/h11-13,15H,2-10H2,1H3/t11?,12-,13?/m0/s1
InChIKeyXYUBTPPQDDUEOG-CPCZMJQVSA-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

(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate
CID 107071125
(2-methylcyclohexyl) pyrrolidine-2-carboxylate
CID 60716745
(2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
CID 61276842
(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate
CID 79034769
cycloheptyl (2R)-piperidine-2-carboxylate
CID 79034969
propyl piperidine-2-carboxylate
CID 43248024
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895
(3,5-dimethylcyclohexyl) piperidine-2-carboxylate
CID 64732036
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376
cyclopropylmethyl (2S)-piperidine-2-carboxylate
CID 66262951
butyl (2S)-piperidine-2-carboxylate
CID 54130362
aminomethyl piperidine-2-carboxylate
CID 152636457

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate (CID 66263376) is (2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate is CCC1CCCCC1OC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate?
The InChIKey is XYUBTPPQDDUEOG-CPCZMJQVSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-11-7-3-4-9-13(11)17-14(16)12-8-5-6-10-15-12/h11-13,15H,2-10H2,1H3/t11?,12-,13?/m0/s1.
What are the key properties of (2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate?
(2-ethylcyclohexyl) (2S)-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 (2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate is sourced from PubChem (CID 66263376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).