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

C12H24N2O2 — CID 62196160

IUPACtert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
SMILESCN1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)13-9-10-7-5-6-8-14(10)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyLHFGJZJADQZCHN-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds2

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

tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate (PubChem CID 62196160) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
PubChem CID62196160
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
SMILESCN1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)13-9-10-7-5-6-8-14(10)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyLHFGJZJADQZCHN-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate
CID 80560787
tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
CID 175669782
tert-butyl N-[2-[[N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885212
tert-butyl N-[[2-[(1-methylpyrrolidin-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103947713
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate
CID 10684329
tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 107243370
tert-butyl N-[[(2S)-1-pent-3-ynylpiperidin-2-yl]methyl]carbamate
CID 97308407
tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate
CID 97221337

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate (CID 62196160) is tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate is CN1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
The InChIKey is LHFGJZJADQZCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)13-9-10-7-5-6-8-14(10)4/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate is sourced from PubChem (CID 62196160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).