2-methylpropyl 3-aminopiperidine-1-carboxylate

C10H20N2O2 — CID 61297583

IUPAC2-methylpropyl 3-aminopiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCCC(N)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)7-14-10(13)12-5-3-4-9(11)6-12/h8-9H,3-7,11H2,1-2H3
InChIKeyFLFUMAFDOMUFQR-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds2

About 2-methylpropyl 3-aminopiperidine-1-carboxylate

2-methylpropyl 3-aminopiperidine-1-carboxylate (PubChem CID 61297583) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methylpropyl 3-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-aminopiperidine-1-carboxylate
PubChem CID61297583
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-methylpropyl 3-aminopiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCCC(N)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)7-14-10(13)12-5-3-4-9(11)6-12/h8-9H,3-7,11H2,1-2H3
InChIKeyFLFUMAFDOMUFQR-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 94340136
2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
2-methylpropyl 3-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 71270916
2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate
CID 79994442
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 94917653
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide
CID 119378154
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
CID 165442334
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-aminopiperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-aminopiperidine-1-carboxylate (CID 61297583) is 2-methylpropyl 3-aminopiperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-aminopiperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-aminopiperidine-1-carboxylate is CC(C)COC(=O)N1CCCC(N)C1.
What is the InChIKey of 2-methylpropyl 3-aminopiperidine-1-carboxylate?
The InChIKey is FLFUMAFDOMUFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)7-14-10(13)12-5-3-4-9(11)6-12/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 2-methylpropyl 3-aminopiperidine-1-carboxylate?
2-methylpropyl 3-aminopiperidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-aminopiperidine-1-carboxylate is sourced from PubChem (CID 61297583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).