ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate

C14H25NO3 — CID 81338184

IUPACethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC2CCOCC2)C1
InChIInChI=1S/C14H25NO3/c1-2-18-14(16)13-4-3-7-15(11-13)10-12-5-8-17-9-6-12/h12-13H,2-11H2,1H3/t13-/m1/s1
InChIKeyDFOZLRVLEPOLDQ-CYBMUJFWSA-N
MW255.36 g/mol
LogP1.69
Rot. Bonds4

About ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate

ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate (PubChem CID 81338184) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate
PubChem CID81338184
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC2CCOCC2)C1
InChIInChI=1S/C14H25NO3/c1-2-18-14(16)13-4-3-7-15(11-13)10-12-5-8-17-9-6-12/h12-13H,2-11H2,1H3/t13-/m1/s1
InChIKeyDFOZLRVLEPOLDQ-CYBMUJFWSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
methyl 1-(oxan-4-ylmethyl)pyrrolidine-3-carboxylate
CID 78957764
ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
CID 108912857
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate
CID 99785632
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate
CID 113330833
ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate
CID 75385964

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate (CID 81338184) is ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC2CCOCC2)C1.
What is the InChIKey of ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate?
The InChIKey is DFOZLRVLEPOLDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-18-14(16)13-4-3-7-15(11-13)10-12-5-8-17-9-6-12/h12-13H,2-11H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate?
ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 81338184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).