pentan-2-yl piperidine-4-carboxylate;hydrochloride

C11H22ClNO2 — CID 156695662

IUPACpentan-2-yl piperidine-4-carboxylate;hydrochloride
SMILESCCCC(C)OC(=O)C1CCNCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-3-4-9(2)14-11(13)10-5-7-12-8-6-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyUCNXLVGFHOOCCM-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.14
Rot. Bonds4

About pentan-2-yl piperidine-4-carboxylate;hydrochloride

pentan-2-yl piperidine-4-carboxylate;hydrochloride (PubChem CID 156695662) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is pentan-2-yl piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namepentan-2-yl piperidine-4-carboxylate;hydrochloride
PubChem CID156695662
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Namepentan-2-yl piperidine-4-carboxylate;hydrochloride
SMILESCCCC(C)OC(=O)C1CCNCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-3-4-9(2)14-11(13)10-5-7-12-8-6-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyUCNXLVGFHOOCCM-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-pentan-2-yl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 70455312
3-pentan-2-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262957
pentan-2-yl piperidine-2-carboxylate
CID 102982469
pentan-2-yl azepane-2-carboxylate
CID 102982576
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
undecan-2-yl oxane-4-carboxylate
CID 177226416
nonan-2-yl 1-methylpiperidine-4-carboxylate
CID 174941700
ethane;5-methylheptan-2-yl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 145154741
pentan-2-yl 2-(azetidin-3-yl)propanoate
CID 102982642
3-methylpentan-3-yl piperidine-4-carboperoxoate
CID 20594902
pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate
CID 102982666
propan-2-yl 2-oxo-2-piperidin-4-ylacetate
CID 69175574

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl piperidine-4-carboxylate;hydrochloride?
The IUPAC name of pentan-2-yl piperidine-4-carboxylate;hydrochloride (CID 156695662) is pentan-2-yl piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for pentan-2-yl piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for pentan-2-yl piperidine-4-carboxylate;hydrochloride is CCCC(C)OC(=O)C1CCNCC1.Cl.
What is the InChIKey of pentan-2-yl piperidine-4-carboxylate;hydrochloride?
The InChIKey is UCNXLVGFHOOCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-3-4-9(2)14-11(13)10-5-7-12-8-6-10;/h9-10,12H,3-8H2,1-2H3;1H.
What are the key properties of pentan-2-yl piperidine-4-carboxylate;hydrochloride?
pentan-2-yl piperidine-4-carboxylate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 156695662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).