tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate

C16H31N3O2 — CID 107256682

IUPACtert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate
SMILESCC1C(NC2CCCNC2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H31N3O2/c1-12-14(18-13-7-5-9-17-11-13)8-6-10-19(12)15(20)21-16(2,3)4/h12-14,17-18H,5-11H2,1-4H3
InChIKeyHLUDWNMENZGUPK-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.12
Rot. Bonds2

About tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate

tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate (PubChem CID 107256682) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate
PubChem CID107256682
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate
SMILESCC1C(NC2CCCNC2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H31N3O2/c1-12-14(18-13-7-5-9-17-11-13)8-6-10-19(12)15(20)21-16(2,3)4/h12-14,17-18H,5-11H2,1-4H3
InChIKeyHLUDWNMENZGUPK-UHFFFAOYSA-N
XLogP2.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 104955727
tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate
CID 83851054
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
tert-butyl 3-(piperidin-3-ylamino)azepane-1-carboxylate
CID 107249352
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
CID 107256740
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
CID 107251407
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl 3-(2-cyclohexylethylamino)-2-methylpiperidine-1-carboxylate
CID 107256759

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate (CID 107256682) is tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate is CC1C(NC2CCCNC2)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate?
The InChIKey is HLUDWNMENZGUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12-14(18-13-7-5-9-17-11-13)8-6-10-19(12)15(20)21-16(2,3)4/h12-14,17-18H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate?
tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 107256682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).