methyl N-piperidin-4-ylcarbamate

C7H14N2O2 — CID 15676960

IUPACmethyl N-piperidin-4-ylcarbamate
SMILESCOC(=O)NC1CCNCC1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)9-6-2-4-8-5-3-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyCBZBASXHQRREBQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.09
Rot. Bonds1

About methyl N-piperidin-4-ylcarbamate

methyl N-piperidin-4-ylcarbamate (PubChem CID 15676960) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Namemethyl N-piperidin-4-ylcarbamate
PubChem CID15676960
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl N-piperidin-4-ylcarbamate
SMILESCOC(=O)NC1CCNCC1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)9-6-2-4-8-5-3-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyCBZBASXHQRREBQ-UHFFFAOYSA-N
XLogP0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
Methyl 3-aminopiperidine-1-carboxylate
CID 22273098
Methyl 4-aminopiperidine-1-carboxylate
CID 28377655
Methyl 4-aminopiperidine-1-carboxylate hydrochloride
CID 53256203
methyl N-(piperidin-4-yl)carbamate hydrochloride
CID 67248274
ethyl N-(piperidin-4-yl)carbamate
CID 15595030
Ethyl (1-ethylpiperidin-4-yl)carbamate
CID 1245348
Ethyl N-methyl-N-(piperidin-4-YL)carbamate
CID 19761240
Piperidin-4-yl-carbamic acid
CID 19787930
Ethyl (1-propylpiperidin-4-yl)carbamate
CID 17250323
methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 43604140
(3-Fluoropiperidin-4-yl)carbamic acid
CID 68560068

Frequently Asked Questions

What is the IUPAC name of methyl N-piperidin-4-ylcarbamate?
The IUPAC name of methyl N-piperidin-4-ylcarbamate (CID 15676960) is methyl N-piperidin-4-ylcarbamate.
What is the SMILES notation for methyl N-piperidin-4-ylcarbamate?
The canonical SMILES for methyl N-piperidin-4-ylcarbamate is COC(=O)NC1CCNCC1.
What is the InChIKey of methyl N-piperidin-4-ylcarbamate?
The InChIKey is CBZBASXHQRREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-7(10)9-6-2-4-8-5-3-6/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of methyl N-piperidin-4-ylcarbamate?
methyl N-piperidin-4-ylcarbamate has a molecular weight of 158.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-piperidin-4-ylcarbamate is sourced from PubChem (CID 15676960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).