2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate

C12H24N2O3 — CID 86816162

IUPAC2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate
SMILESCC1CCCC(CO)N1CCOC(=O)N(C)C
InChIInChI=1S/C12H24N2O3/c1-10-5-4-6-11(9-15)14(10)7-8-17-12(16)13(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyISQGCOZFVDVUON-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.92
Rot. Bonds4

About 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate

2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate (PubChem CID 86816162) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate
PubChem CID86816162
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate
SMILESCC1CCCC(CO)N1CCOC(=O)N(C)C
InChIInChI=1S/C12H24N2O3/c1-10-5-4-6-11(9-15)14(10)7-8-17-12(16)13(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyISQGCOZFVDVUON-UHFFFAOYSA-N
XLogP0.92
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate (CID 86816162) is 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate is CC1CCCC(CO)N1CCOC(=O)N(C)C.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate?
The InChIKey is ISQGCOZFVDVUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10-5-4-6-11(9-15)14(10)7-8-17-12(16)13(2)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate?
2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate has a molecular weight of 244.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl N,N-dimethylcarbamate is sourced from PubChem (CID 86816162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).