piperidin-3-ylmethyl cyclopropanecarboxylate

C10H17NO2 — CID 56829549

IUPACpiperidin-3-ylmethyl cyclopropanecarboxylate
SMILESO=C(OCC1CCCNC1)C1CC1
InChIInChI=1S/C10H17NO2/c12-10(9-3-4-9)13-7-8-2-1-5-11-6-8/h8-9,11H,1-7H2
InChIKeyLVESGAFALXIVIV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds3

About piperidin-3-ylmethyl cyclopropanecarboxylate

piperidin-3-ylmethyl cyclopropanecarboxylate (PubChem CID 56829549) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is piperidin-3-ylmethyl cyclopropanecarboxylate.

Molecular Properties

Compound Namepiperidin-3-ylmethyl cyclopropanecarboxylate
PubChem CID56829549
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namepiperidin-3-ylmethyl cyclopropanecarboxylate
SMILESO=C(OCC1CCCNC1)C1CC1
InChIInChI=1S/C10H17NO2/c12-10(9-3-4-9)13-7-8-2-1-5-11-6-8/h8-9,11H,1-7H2
InChIKeyLVESGAFALXIVIV-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate
CID 86319695
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
piperidin-3-ylmethyl 3-methylbutanoate
CID 56829531
piperidin-4-ylmethyl piperidine-4-carboxylate
CID 162440838
piperidin-3-ylmethyl benzoate
CID 53409803
cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525664
2-cyclopropylethyl (3R)-piperidine-3-carboxylate
CID 106202694
piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
3-[(dihydroxyamino)oxymethyl]piperidine
CID 67976448
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethyl cyclopropanecarboxylate?
The IUPAC name of piperidin-3-ylmethyl cyclopropanecarboxylate (CID 56829549) is piperidin-3-ylmethyl cyclopropanecarboxylate.
What is the SMILES notation for piperidin-3-ylmethyl cyclopropanecarboxylate?
The canonical SMILES for piperidin-3-ylmethyl cyclopropanecarboxylate is O=C(OCC1CCCNC1)C1CC1.
What is the InChIKey of piperidin-3-ylmethyl cyclopropanecarboxylate?
The InChIKey is LVESGAFALXIVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(9-3-4-9)13-7-8-2-1-5-11-6-8/h8-9,11H,1-7H2.
What are the key properties of piperidin-3-ylmethyl cyclopropanecarboxylate?
piperidin-3-ylmethyl cyclopropanecarboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylmethyl cyclopropanecarboxylate is sourced from PubChem (CID 56829549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).