tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate

C14H26N2O2 — CID 97171663

IUPACtert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@](C)(NC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-5-8-14(4,10-16)15-11-6-7-11/h11,15H,5-10H2,1-4H3/t14-/m0/s1
InChIKeyHMRMIIBSYRBPSD-AWEZNQCLSA-N
MW254.37 g/mol
LogP2.53
Rot. Bonds2

About tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate

tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate (PubChem CID 97171663) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate
PubChem CID97171663
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@](C)(NC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-5-8-14(4,10-16)15-11-6-7-11/h11,15H,5-10H2,1-4H3/t14-/m0/s1
InChIKeyHMRMIIBSYRBPSD-AWEZNQCLSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate
CID 115976168
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
CID 123836479
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate
CID 83206251
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90236843
tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate
CID 104872140

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate (CID 97171663) is tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@](C)(NC2CC2)C1.
What is the InChIKey of tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate?
The InChIKey is HMRMIIBSYRBPSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-5-8-14(4,10-16)15-11-6-7-11/h11,15H,5-10H2,1-4H3/t14-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate?
tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 97171663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).