ethyl N-(1-methylpiperidin-4-yl)carbamate

C9H18N2O2 — CID 58960911

IUPACethyl N-(1-methylpiperidin-4-yl)carbamate
SMILESCCOC(=O)NC1CCN(C)CC1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)10-8-4-6-11(2)7-5-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyKNDOOWYELJSFNE-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds2

About ethyl N-(1-methylpiperidin-4-yl)carbamate

ethyl N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 58960911) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-methylpiperidin-4-yl)carbamate
PubChem CID58960911
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl N-(1-methylpiperidin-4-yl)carbamate
SMILESCCOC(=O)NC1CCN(C)CC1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)10-8-4-6-11(2)7-5-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyKNDOOWYELJSFNE-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

ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
ethyl N-[(3S)-1-methanidylpyrrolidin-3-yl]carbamate
CID 59704388
ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 22273026
ethyl N-(thian-4-yl)carbamate
CID 115599837
ethyl N-(4-oxocyclohexyl)carbamate
CID 12546192
ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
CID 118918439

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of ethyl N-(1-methylpiperidin-4-yl)carbamate (CID 58960911) is ethyl N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for ethyl N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for ethyl N-(1-methylpiperidin-4-yl)carbamate is CCOC(=O)NC1CCN(C)CC1.
What is the InChIKey of ethyl N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is KNDOOWYELJSFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-9(12)10-8-4-6-11(2)7-5-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of ethyl N-(1-methylpiperidin-4-yl)carbamate?
ethyl N-(1-methylpiperidin-4-yl)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 ethyl N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 58960911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).