methyl 6-cyclopropylpiperidine-3-carboxylate

C10H17NO2 — CID 83915093

IUPACmethyl 6-cyclopropylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCC(C2CC2)NC1
InChIInChI=1S/C10H17NO2/c1-13-10(12)8-4-5-9(11-6-8)7-2-3-7/h7-9,11H,2-6H2,1H3
InChIKeyXGUQFKNUENLENW-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds2

About methyl 6-cyclopropylpiperidine-3-carboxylate

methyl 6-cyclopropylpiperidine-3-carboxylate (PubChem CID 83915093) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 6-cyclopropylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclopropylpiperidine-3-carboxylate
PubChem CID83915093
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 6-cyclopropylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCC(C2CC2)NC1
InChIInChI=1S/C10H17NO2/c1-13-10(12)8-4-5-9(11-6-8)7-2-3-7/h7-9,11H,2-6H2,1H3
InChIKeyXGUQFKNUENLENW-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
CID 101043498
methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate
CID 129430636
methyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-5-carboxylate;hydrochloride
CID 155971059
acetic acid;methyl 6-methylpiperidine-3-carboxylate
CID 154942915
methyl 4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 54244189
methyl pyrrolidine-3-carboxylate
CID 4114360
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
6-cyclohexylpiperidine-3-carboxylic acid
CID 83916848
methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate
CID 117168120
6-methoxycarbonylpiperidine-3-carboxylic acid
CID 19699657
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropylpiperidine-3-carboxylate?
The IUPAC name of methyl 6-cyclopropylpiperidine-3-carboxylate (CID 83915093) is methyl 6-cyclopropylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 6-cyclopropylpiperidine-3-carboxylate?
The canonical SMILES for methyl 6-cyclopropylpiperidine-3-carboxylate is COC(=O)C1CCC(C2CC2)NC1.
What is the InChIKey of methyl 6-cyclopropylpiperidine-3-carboxylate?
The InChIKey is XGUQFKNUENLENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-10(12)8-4-5-9(11-6-8)7-2-3-7/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl 6-cyclopropylpiperidine-3-carboxylate?
methyl 6-cyclopropylpiperidine-3-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopropylpiperidine-3-carboxylate is sourced from PubChem (CID 83915093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).