methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate

C12H24N2O2 — CID 168761202

IUPACmethyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)9-14-7-5-10(6-8-14)13-11(15)16-4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyNGCDXICSHDACNM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds2

About methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate

methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate (PubChem CID 168761202) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
PubChem CID168761202
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)9-14-7-5-10(6-8-14)13-11(15)16-4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyNGCDXICSHDACNM-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate
CID 54147473
methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate
CID 113402427
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
1-(2,2-dimethylpropyl)-N-methylpiperidin-4-amine
CID 59679434
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
CID 168760317
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
methyl N-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]carbamate
CID 113402602
[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methanesulfinic acid
CID 174605400
tert-butyl N-[1-(oxiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 87133691

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate (CID 168761202) is methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(CC(C)(C)C)CC1.
What is the InChIKey of methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate?
The InChIKey is NGCDXICSHDACNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)9-14-7-5-10(6-8-14)13-11(15)16-4/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate?
methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 168761202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).