methyl N-(2-piperidin-1-ylethyl)carbamate

C9H18N2O2 — CID 12673080

IUPACmethyl N-(2-piperidin-1-ylethyl)carbamate
SMILESCOC(=O)NCCN1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)10-5-8-11-6-3-2-4-7-11/h2-8H2,1H3,(H,10,12)
InChIKeyDNCQGUGKEZHHGT-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds3

About methyl N-(2-piperidin-1-ylethyl)carbamate

methyl N-(2-piperidin-1-ylethyl)carbamate (PubChem CID 12673080) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl N-(2-piperidin-1-ylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-piperidin-1-ylethyl)carbamate
PubChem CID12673080
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl N-(2-piperidin-1-ylethyl)carbamate
SMILESCOC(=O)NCCN1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)10-5-8-11-6-3-2-4-7-11/h2-8H2,1H3,(H,10,12)
InChIKeyDNCQGUGKEZHHGT-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-piperidin-1-ylethyl)carbamate?
The IUPAC name of methyl N-(2-piperidin-1-ylethyl)carbamate (CID 12673080) is methyl N-(2-piperidin-1-ylethyl)carbamate.
What is the SMILES notation for methyl N-(2-piperidin-1-ylethyl)carbamate?
The canonical SMILES for methyl N-(2-piperidin-1-ylethyl)carbamate is COC(=O)NCCN1CCCCC1.
What is the InChIKey of methyl N-(2-piperidin-1-ylethyl)carbamate?
The InChIKey is DNCQGUGKEZHHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-9(12)10-5-8-11-6-3-2-4-7-11/h2-8H2,1H3,(H,10,12).
What are the key properties of methyl N-(2-piperidin-1-ylethyl)carbamate?
methyl N-(2-piperidin-1-ylethyl)carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-piperidin-1-ylethyl)carbamate is sourced from PubChem (CID 12673080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).