piperidin-3-yl cyclobutanecarboxylate;hydrochloride

C10H18ClNO2 — CID 53409783

IUPACpiperidin-3-yl cyclobutanecarboxylate;hydrochloride
SMILESCl.O=C(OC1CCCNC1)C1CCC1
InChIInChI=1S/C10H17NO2.ClH/c12-10(8-3-1-4-8)13-9-5-2-6-11-7-9;/h8-9,11H,1-7H2;1H
InChIKeyCNDKINFJDDAMBF-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.50
Rot. Bonds2

About piperidin-3-yl cyclobutanecarboxylate;hydrochloride

piperidin-3-yl cyclobutanecarboxylate;hydrochloride (PubChem CID 53409783) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is piperidin-3-yl cyclobutanecarboxylate;hydrochloride.

Molecular Properties

Compound Namepiperidin-3-yl cyclobutanecarboxylate;hydrochloride
PubChem CID53409783
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Namepiperidin-3-yl cyclobutanecarboxylate;hydrochloride
SMILESCl.O=C(OC1CCCNC1)C1CCC1
InChIInChI=1S/C10H17NO2.ClH/c12-10(8-3-1-4-8)13-9-5-2-6-11-7-9;/h8-9,11H,1-7H2;1H
InChIKeyCNDKINFJDDAMBF-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-yl cyclopentanecarboxylate
CID 56829579
cyclopentyl piperidine-3-carboxylate
CID 61278605
cyclohexyl (3S)-piperidine-3-carboxylate
CID 81126068
(3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate
CID 81121055
[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
CID 140571611
[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate
CID 86319568
cycloheptyl pyrrolidine-3-carboxylate
CID 63033044
cyclooctyl cyclooctanecarboxylate
CID 57160377
piperidin-3-yl 2-methylpropanoate
CID 53409773
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 25094738

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl cyclobutanecarboxylate;hydrochloride?
The IUPAC name of piperidin-3-yl cyclobutanecarboxylate;hydrochloride (CID 53409783) is piperidin-3-yl cyclobutanecarboxylate;hydrochloride.
What is the SMILES notation for piperidin-3-yl cyclobutanecarboxylate;hydrochloride?
The canonical SMILES for piperidin-3-yl cyclobutanecarboxylate;hydrochloride is Cl.O=C(OC1CCCNC1)C1CCC1.
What is the InChIKey of piperidin-3-yl cyclobutanecarboxylate;hydrochloride?
The InChIKey is CNDKINFJDDAMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c12-10(8-3-1-4-8)13-9-5-2-6-11-7-9;/h8-9,11H,1-7H2;1H.
What are the key properties of piperidin-3-yl cyclobutanecarboxylate;hydrochloride?
piperidin-3-yl cyclobutanecarboxylate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl cyclobutanecarboxylate;hydrochloride is sourced from PubChem (CID 53409783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).