2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride

C10H21ClN2O2 — CID 68848607

IUPAC2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride
SMILESCC(C)COC(=O)C1CCCN(N)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-8(2)7-14-10(13)9-4-3-5-12(11)6-9;/h8-9H,3-7,11H2,1-2H3;1H
InChIKeySLTWBBIRLIIUOX-UHFFFAOYSA-N
MW236.74 g/mol
LogP1.19
Rot. Bonds3

About 2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride

2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride (PubChem CID 68848607) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride
PubChem CID68848607
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride
SMILESCC(C)COC(=O)C1CCCN(N)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-8(2)7-14-10(13)9-4-3-5-12(11)6-9;/h8-9H,3-7,11H2,1-2H3;1H
InChIKeySLTWBBIRLIIUOX-UHFFFAOYSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl cyclopropanecarboxylate
CID 549520
2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
CID 91728652
3-O-(3-methylbutyl) 1-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984045
3-(2-methylpropoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983583
2-methylpropyl 1-tert-butylazetidine-3-carboxylate
CID 167338464
1-O-(4-methylpentyl) 4-O-(2-methylpropyl) cyclohexane-1,4-dicarboxylate
CID 66983850
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
1-O-tert-butyl 3-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984015
cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323797
2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737621
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
CID 63383254

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride?
The IUPAC name of 2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride (CID 68848607) is 2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for 2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for 2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride is CC(C)COC(=O)C1CCCN(N)C1.Cl.
What is the InChIKey of 2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride?
The InChIKey is SLTWBBIRLIIUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-8(2)7-14-10(13)9-4-3-5-12(11)6-9;/h8-9H,3-7,11H2,1-2H3;1H.
What are the key properties of 2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride?
2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 68848607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).