tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate

C15H28N2O2 — CID 83996404

IUPACtert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate
SMILESCC1CC(NCC2CC2)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11-7-13(16-8-12-5-6-12)10-17(9-11)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyGQTVTRVHZLUXTB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate

tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate (PubChem CID 83996404) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate
PubChem CID83996404
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate
SMILESCC1CC(NCC2CC2)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11-7-13(16-8-12-5-6-12)10-17(9-11)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyGQTVTRVHZLUXTB-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
CID 83990962
tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate
CID 146609548
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl 3-[(3-hydroxycyclohexyl)methylamino]azetidine-1-carboxylate
CID 102672364
tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate
CID 58394498
tert-butyl (3R,5S)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CID 118006982
tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate
CID 83998177
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258
3-(cyclobutylmethylamino)-5-methylpiperidine-1-carboxamide
CID 83997098
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate (CID 83996404) is tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate is CC1CC(NCC2CC2)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate?
The InChIKey is GQTVTRVHZLUXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-7-13(16-8-12-5-6-12)10-17(9-11)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate?
tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 83996404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).