propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate

C10H20N2O2 — CID 79867797

IUPACpropan-2-yl 4-amino-3-methylpiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(N)C(C)C1
InChIInChI=1S/C10H20N2O2/c1-7(2)14-10(13)12-5-4-9(11)8(3)6-12/h7-9H,4-6,11H2,1-3H3
InChIKeyZBYDQWGHXGBPDQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds1

About propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate

propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate (PubChem CID 79867797) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-amino-3-methylpiperidine-1-carboxylate
PubChem CID79867797
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namepropan-2-yl 4-amino-3-methylpiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(N)C(C)C1
InChIInChI=1S/C10H20N2O2/c1-7(2)14-10(13)12-5-4-9(11)8(3)6-12/h7-9H,4-6,11H2,1-3H3
InChIKeyZBYDQWGHXGBPDQ-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
CID 115300213
propan-2-yl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 116656597
4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
CID 63720854
(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid
CID 81119636
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
propan-2-yl 3-acetamidopyrrolidine-1-carboxylate
CID 77434024
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
(4-amino-3-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79879328
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate (CID 79867797) is propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(N)C(C)C1.
What is the InChIKey of propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate?
The InChIKey is ZBYDQWGHXGBPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)14-10(13)12-5-4-9(11)8(3)6-12/h7-9H,4-6,11H2,1-3H3.
What are the key properties of propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate?
propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 79867797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).