oxolan-2-ylmethyl piperidine-1-carboxylate

C11H19NO3 — CID 141186129

IUPACoxolan-2-ylmethyl piperidine-1-carboxylate
SMILESO=C(OCC1CCCO1)N1CCCCC1
InChIInChI=1S/C11H19NO3/c13-11(12-6-2-1-3-7-12)15-9-10-5-4-8-14-10/h10H,1-9H2
InChIKeyNSCDDEFMFDVWFT-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.79
Rot. Bonds2

About oxolan-2-ylmethyl piperidine-1-carboxylate

oxolan-2-ylmethyl piperidine-1-carboxylate (PubChem CID 141186129) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is oxolan-2-ylmethyl piperidine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl piperidine-1-carboxylate
PubChem CID141186129
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameoxolan-2-ylmethyl piperidine-1-carboxylate
SMILESO=C(OCC1CCCO1)N1CCCCC1
InChIInChI=1S/C11H19NO3/c13-11(12-6-2-1-3-7-12)15-9-10-5-4-8-14-10/h10H,1-9H2
InChIKeyNSCDDEFMFDVWFT-UHFFFAOYSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 97080553
oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612573
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 3396448
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxolan-2-ylmethyl 2-iodoprop-2-enoate
CID 71551537
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 121182592
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl piperidine-1-carboxylate?
The IUPAC name of oxolan-2-ylmethyl piperidine-1-carboxylate (CID 141186129) is oxolan-2-ylmethyl piperidine-1-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl piperidine-1-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl piperidine-1-carboxylate is O=C(OCC1CCCO1)N1CCCCC1.
What is the InChIKey of oxolan-2-ylmethyl piperidine-1-carboxylate?
The InChIKey is NSCDDEFMFDVWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(12-6-2-1-3-7-12)15-9-10-5-4-8-14-10/h10H,1-9H2.
What are the key properties of oxolan-2-ylmethyl piperidine-1-carboxylate?
oxolan-2-ylmethyl piperidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl piperidine-1-carboxylate is sourced from PubChem (CID 141186129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).