oxan-2-ylmethyl piperidine-3-carboxylate

C12H21NO3 — CID 61279233

IUPACoxan-2-ylmethyl piperidine-3-carboxylate
SMILESO=C(OCC1CCCCO1)C1CCCNC1
InChIInChI=1S/C12H21NO3/c14-12(10-4-3-6-13-8-10)16-9-11-5-1-2-7-15-11/h10-11,13H,1-9H2
InChIKeyBRXGLVXOCBFQQB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds3

About oxan-2-ylmethyl piperidine-3-carboxylate

oxan-2-ylmethyl piperidine-3-carboxylate (PubChem CID 61279233) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is oxan-2-ylmethyl piperidine-3-carboxylate.

Molecular Properties

Compound Nameoxan-2-ylmethyl piperidine-3-carboxylate
PubChem CID61279233
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameoxan-2-ylmethyl piperidine-3-carboxylate
SMILESO=C(OCC1CCCCO1)C1CCCNC1
InChIInChI=1S/C12H21NO3/c14-12(10-4-3-6-13-8-10)16-9-11-5-1-2-7-15-11/h10-11,13H,1-9H2
InChIKeyBRXGLVXOCBFQQB-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-ylmethyl (3S)-piperidine-3-carboxylate
CID 81126221
oxolan-2-ylmethyl pyrrolidine-3-carboxylate
CID 63031488
oxan-2-ylmethyl 3-aminocyclohexane-1-carboxylate
CID 55148465
oxan-2-ylmethyl azepane-2-carboxylate
CID 64561712
(3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide
CID 129392973
oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
oxolan-2-ylmethyl piperidine-2-carboxylate
CID 61279092
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612573
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
N-cyclopentyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 119336156
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (3R)-piperidine-3-carboxylate
CID 7707948

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl piperidine-3-carboxylate?
The IUPAC name of oxan-2-ylmethyl piperidine-3-carboxylate (CID 61279233) is oxan-2-ylmethyl piperidine-3-carboxylate.
What is the SMILES notation for oxan-2-ylmethyl piperidine-3-carboxylate?
The canonical SMILES for oxan-2-ylmethyl piperidine-3-carboxylate is O=C(OCC1CCCCO1)C1CCCNC1.
What is the InChIKey of oxan-2-ylmethyl piperidine-3-carboxylate?
The InChIKey is BRXGLVXOCBFQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-12(10-4-3-6-13-8-10)16-9-11-5-1-2-7-15-11/h10-11,13H,1-9H2.
What are the key properties of oxan-2-ylmethyl piperidine-3-carboxylate?
oxan-2-ylmethyl piperidine-3-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl piperidine-3-carboxylate is sourced from PubChem (CID 61279233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).