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

C9H18N2O2 — CID 116655199

IUPACmethyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1CCCCN1C
InChIInChI=1S/C9H18N2O2/c1-11-6-4-3-5-8(11)7-10-9(12)13-2/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyKPOWGXSCQCVJES-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds2

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

methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate (PubChem CID 116655199) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
PubChem CID116655199
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1CCCCN1C
InChIInChI=1S/C9H18N2O2/c1-11-6-4-3-5-8(11)7-10-9(12)13-2/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyKPOWGXSCQCVJES-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 130580965
2-(2-aminoethoxy)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 79478680
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
2-[(1-methylpiperidin-2-yl)methylamino]ethylurea
CID 83111623
2-methyl-2-(methylamino)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62847121
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107941722
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate
CID 80560787
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate (CID 116655199) is methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate is COC(=O)NCC1CCCCN1C.
What is the InChIKey of methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
The InChIKey is KPOWGXSCQCVJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11-6-4-3-5-8(11)7-10-9(12)13-2/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate is sourced from PubChem (CID 116655199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).