tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate

C14H28N2O2 — CID 83983009

IUPACtert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate
SMILESCC(CC1CCCN(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11(15-13(17)18-14(2,3)4)9-12-7-6-8-16(5)10-12/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyCYEVMQYXFPUDEX-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate

tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate (PubChem CID 83983009) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate
PubChem CID83983009
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate
SMILESCC(CC1CCCN(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11(15-13(17)18-14(2,3)4)9-12-7-6-8-16(5)10-12/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyCYEVMQYXFPUDEX-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate
CID 83982889
tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83981096
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrrolidin-3-yl)propanoic acid
CID 84713340
3-(1-methylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-(2-piperidin-1-ylethyl)piperidine;3-piperidin-1-ylpropanoic acid
CID 157079875
tert-butyl N-[3-methyl-2-[[(1-methylpiperidin-3-yl)methylamino]methyl]butyl]carbamate
CID 107442090
tert-butyl N-[1-[1-(4-chlorophenyl)pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83981438
tert-butyl N-[1-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83980849
tert-butyl N-[4-methyl-2-[(1-methylpiperidin-3-yl)methylamino]pentyl]carbamate
CID 107252275
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propanoic acid
CID 68533815
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)methylamino]propyl]piperidine-1-carboxylate
CID 113248692
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate
CID 103905910
tert-butyl 3-[(1-methylpiperidin-3-yl)methylamino]propanoate
CID 103244424

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate (CID 83983009) is tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate is CC(CC1CCCN(C)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate?
The InChIKey is CYEVMQYXFPUDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(15-13(17)18-14(2,3)4)9-12-7-6-8-16(5)10-12/h11-12H,6-10H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate has a molecular weight of 256.39 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 N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 83983009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).