8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate

C14H24N2O2 — CID 114199761

IUPAC8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C14H24N2O2/c1-10-4-6-16(7-5-10)14(17)18-13-8-11-2-3-12(9-13)15-11/h10-13,15H,2-9H2,1H3
InChIKeyLIPBGWZAMBYMMC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.14
Rot. Bonds1

About 8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate

8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate (PubChem CID 114199761) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate
PubChem CID114199761
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C14H24N2O2/c1-10-4-6-16(7-5-10)14(17)18-13-8-11-2-3-12(9-13)15-11/h10-13,15H,2-9H2,1H3
InChIKeyLIPBGWZAMBYMMC-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl 4-methylpiperidine-1-carboxylate
CID 79337031
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate
CID 70197099
sulfanyl 4-methylpiperidine-1-carboxylate
CID 89011806
8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate
CID 164845118
methyl 4-methylazocane-1-carboxylate
CID 91583832
[3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate
CID 79346381
3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane
CID 114199641
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
(3-aminocyclobutyl) pyrrolidine-1-carboxylate
CID 79346584
(3-aminocyclohexyl) pyrrolidine-1-carboxylate
CID 79465438

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate (CID 114199761) is 8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)OC2CC3CCC(C2)N3)CC1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate?
The InChIKey is LIPBGWZAMBYMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-4-6-16(7-5-10)14(17)18-13-8-11-2-3-12(9-13)15-11/h10-13,15H,2-9H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate?
8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 114199761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).