oxolan-2-ylmethyl piperidine-2-carboxylate

C11H19NO3 — CID 61279092

IUPACoxolan-2-ylmethyl piperidine-2-carboxylate
SMILESO=C(OCC1CCCO1)C1CCCCN1
InChIInChI=1S/C11H19NO3/c13-11(10-5-1-2-6-12-10)15-8-9-4-3-7-14-9/h9-10,12H,1-8H2
InChIKeySXVPQYMAMKYEAU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.85
Rot. Bonds3

About oxolan-2-ylmethyl piperidine-2-carboxylate

oxolan-2-ylmethyl piperidine-2-carboxylate (PubChem CID 61279092) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is oxolan-2-ylmethyl piperidine-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl piperidine-2-carboxylate
PubChem CID61279092
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameoxolan-2-ylmethyl piperidine-2-carboxylate
SMILESO=C(OCC1CCCO1)C1CCCCN1
InChIInChI=1S/C11H19NO3/c13-11(10-5-1-2-6-12-10)15-8-9-4-3-7-14-9/h9-10,12H,1-8H2
InChIKeySXVPQYMAMKYEAU-UHFFFAOYSA-N
XLogP0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
oxan-2-ylmethyl azepane-2-carboxylate
CID 64561712
cyclopropylmethyl (2S)-piperidine-2-carboxylate
CID 66262951
N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 18072457
oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate
CID 107436952
aminomethyl piperidine-2-carboxylate
CID 152636457
oxolan-2-ylmethyl pyrrolidine-3-carboxylate
CID 63031488
oxan-4-ylmethyl pyrrolidine-2-carboxylate
CID 62383642
(2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 61165514
N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60963860
oxan-2-ylmethyl piperidine-3-carboxylate
CID 61279233
oxan-2-ylmethyl (3S)-piperidine-3-carboxylate
CID 81126221

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl piperidine-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl piperidine-2-carboxylate (CID 61279092) is oxolan-2-ylmethyl piperidine-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl piperidine-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl piperidine-2-carboxylate is O=C(OCC1CCCO1)C1CCCCN1.
What is the InChIKey of oxolan-2-ylmethyl piperidine-2-carboxylate?
The InChIKey is SXVPQYMAMKYEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(10-5-1-2-6-12-10)15-8-9-4-3-7-14-9/h9-10,12H,1-8H2.
What are the key properties of oxolan-2-ylmethyl piperidine-2-carboxylate?
oxolan-2-ylmethyl piperidine-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl piperidine-2-carboxylate is sourced from PubChem (CID 61279092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).