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

C14H25NO2 — CID 81121055

IUPAC(3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate
SMILESCCC1CCCC(OC(=O)[C@@H]2CCCNC2)C1
InChIInChI=1S/C14H25NO2/c1-2-11-5-3-7-13(9-11)17-14(16)12-6-4-8-15-10-12/h11-13,15H,2-10H2,1H3/t11?,12-,13?/m1/s1
InChIKeyVXMXFXMHAFFDGK-OTTFEQOBSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds3

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

(3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate (PubChem CID 81121055) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate.

Molecular Properties

Compound Name(3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate
PubChem CID81121055
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate
SMILESCCC1CCCC(OC(=O)[C@@H]2CCCNC2)C1
InChIInChI=1S/C14H25NO2/c1-2-11-5-3-7-13(9-11)17-14(16)12-6-4-8-15-10-12/h11-13,15H,2-10H2,1H3/t11?,12-,13?/m1/s1
InChIKeyVXMXFXMHAFFDGK-OTTFEQOBSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl piperidine-3-carboxylate
CID 61278605
cyclohexyl (3S)-piperidine-3-carboxylate
CID 81126068
(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate
CID 79034769
piperidin-3-yl cyclobutanecarboxylate;hydrochloride
CID 53409783
(3-ethylcyclohexyl) (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712694
piperidin-3-yl cyclopentanecarboxylate
CID 56829579
(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568230
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
cycloheptyl pyrrolidine-3-carboxylate
CID 63033044
(3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate
CID 114430087
(3-ethylcyclohexyl) 2-morpholin-2-ylacetate
CID 66433853

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate?
The IUPAC name of (3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate (CID 81121055) is (3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate.
What is the SMILES notation for (3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate?
The canonical SMILES for (3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate is CCC1CCCC(OC(=O)[C@@H]2CCCNC2)C1.
What is the InChIKey of (3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate?
The InChIKey is VXMXFXMHAFFDGK-OTTFEQOBSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-11-5-3-7-13(9-11)17-14(16)12-6-4-8-15-10-12/h11-13,15H,2-10H2,1H3/t11?,12-,13?/m1/s1.
What are the key properties of (3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate?
(3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate is sourced from PubChem (CID 81121055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).