azetidin-3-yl 4-methylpiperidine-1-carboxylate

C10H18N2O2 — CID 79337031

IUPACazetidin-3-yl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC2CNC2)CC1
InChIInChI=1S/C10H18N2O2/c1-8-2-4-12(5-3-8)10(13)14-9-6-11-7-9/h8-9,11H,2-7H2,1H3
InChIKeyMMRYVLRGCKGJAA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.83
Rot. Bonds1

About azetidin-3-yl 4-methylpiperidine-1-carboxylate

azetidin-3-yl 4-methylpiperidine-1-carboxylate (PubChem CID 79337031) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is azetidin-3-yl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameazetidin-3-yl 4-methylpiperidine-1-carboxylate
PubChem CID79337031
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameazetidin-3-yl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC2CNC2)CC1
InChIInChI=1S/C10H18N2O2/c1-8-2-4-12(5-3-8)10(13)14-9-6-11-7-9/h8-9,11H,2-7H2,1H3
InChIKeyMMRYVLRGCKGJAA-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate
CID 114199761
azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate
CID 118447065
sulfanyl 4-methylpiperidine-1-carboxylate
CID 89011806
pyrrolidin-3-yl piperidine-1-carboxylate
CID 79337599
[(3R)-pyrrolidin-3-yl] morpholine-4-carboxylate
CID 124511796
2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 116674207
methyl 4-methylazocane-1-carboxylate
CID 91583832
cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 141269509
methyl 4-methylpiperidine-1-carboxylate;4-methyloxane
CID 90741122
butan-2-yl 4-methylpiperidine-1-carboxylate
CID 58345850
cyclopropyl 4,4-dimethylpiperidine-1-carboxylate
CID 165444759
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl 4-methylpiperidine-1-carboxylate?
The IUPAC name of azetidin-3-yl 4-methylpiperidine-1-carboxylate (CID 79337031) is azetidin-3-yl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for azetidin-3-yl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for azetidin-3-yl 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)OC2CNC2)CC1.
What is the InChIKey of azetidin-3-yl 4-methylpiperidine-1-carboxylate?
The InChIKey is MMRYVLRGCKGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8-2-4-12(5-3-8)10(13)14-9-6-11-7-9/h8-9,11H,2-7H2,1H3.
What are the key properties of azetidin-3-yl 4-methylpiperidine-1-carboxylate?
azetidin-3-yl 4-methylpiperidine-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 79337031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).