methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate

C9H18N2O2 — CID 115269783

IUPACmethyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C9H18N2O2/c1-9(2)6-11(8(12)13-3)5-4-7(9)10/h7H,4-6,10H2,1-3H3
InChIKeyQHWSAVOJUMUHKS-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.81
Rot. Bonds

About methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate

methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 115269783) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
PubChem CID115269783
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C9H18N2O2/c1-9(2)6-11(8(12)13-3)5-4-7(9)10/h7H,4-6,10H2,1-3H3
InChIKeyQHWSAVOJUMUHKS-UHFFFAOYSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
3-piperidin-1-ylpropyl N-(3,3-dimethylbutan-2-yl)carbamate
CID 44352410
tert-butyl N-(3,3-dimethylpiperidin-4-yl)carbamate
CID 10171390
Tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 10171391
Methyl 4-aminopiperidine-1-carboxylate
CID 28377655
tert-Butyl 4-amino-3-methylpiperidine-1-carboxylate
CID 51358548
1-Piperidinecarboxylic acid, 4-amino-3-methyl-, 1,1-dimethylethyl ester, (3S,4R)-
CID 58439806
tert-butyl (3R,4R)-4-amino-3-methylpiperidine-1-carboxylate
CID 66998328
tert-Butyl 3-(aminomethyl)-3-methylpiperidine-1-carboxylate
CID 71741923
Tert-butyl 5-amino-3,3-dimethylpiperidine-1-carboxylate
CID 117274682
Ethyl 4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-1-piperidinecarboxylate
CID 24154035
tert-Butyl (S)-5-amino-3,3-dimethylpiperidine-1-carboxylate
CID 155904241

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate (CID 115269783) is methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate is COC(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is QHWSAVOJUMUHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2)6-11(8(12)13-3)5-4-7(9)10/h7H,4-6,10H2,1-3H3.
What are the key properties of methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate?
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 115269783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).