methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate

C11H19NO3 — CID 146340071

IUPACmethyl 3-piperidin-4-yloxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(OC2CCNCC2)C1
InChIInChI=1S/C11H19NO3/c1-14-11(13)8-6-10(7-8)15-9-2-4-12-5-3-9/h8-10,12H,2-7H2,1H3
InChIKeyVQPKTIXKYGKWGL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.71
Rot. Bonds3

About methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate

methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate (PubChem CID 146340071) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-piperidin-4-yloxycyclobutane-1-carboxylate
PubChem CID146340071
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-piperidin-4-yloxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(OC2CCNCC2)C1
InChIInChI=1S/C11H19NO3/c1-14-11(13)8-6-10(7-8)15-9-2-4-12-5-3-9/h8-10,12H,2-7H2,1H3
InChIKeyVQPKTIXKYGKWGL-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-4-yloxycyclobutane-1-carboxylic acid
CID 123395248
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
ethane;4-(3-ethylcyclobutyl)oxypiperidine
CID 176985395
methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
CID 158261910
methyl (4R)-azepane-4-carboxylate
CID 45090253
methyl pyrrolidine-3-carboxylate
CID 4114360
4-(4-piperidin-4-yloxycyclohexyl)oxypiperidine
CID 165136805
methyl 2-piperidin-4-ylpiperidine-4-carboxylate
CID 105484069
methyl 4-(3,4-dimethylcyclohexyl)oxycyclohexane-1-carboxylate
CID 114450729
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
4-[(1R,3R)-3-piperidin-4-yloxycyclopentyl]oxypiperidine
CID 165137114
methyl (3S,5S)-5-methoxypiperidine-3-carboxylate
CID 124509731

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate?
The IUPAC name of methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate (CID 146340071) is methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate is COC(=O)C1CC(OC2CCNCC2)C1.
What is the InChIKey of methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate?
The InChIKey is VQPKTIXKYGKWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-11(13)8-6-10(7-8)15-9-2-4-12-5-3-9/h8-10,12H,2-7H2,1H3.
What are the key properties of methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate?
methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate is sourced from PubChem (CID 146340071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).