(1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate

C12H20N2O2 — CID 162670770

IUPAC(1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate
SMILESC#CCN1CCC(OC(=O)N(C)CC)CC1
InChIInChI=1S/C12H20N2O2/c1-4-8-14-9-6-11(7-10-14)16-12(15)13(3)5-2/h1,11H,5-10H2,2-3H3
InChIKeyIJNJKTCCHJBJON-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.17
Rot. Bonds3

About (1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate

(1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate (PubChem CID 162670770) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate
PubChem CID162670770
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate
SMILESC#CCN1CCC(OC(=O)N(C)CC)CC1
InChIInChI=1S/C12H20N2O2/c1-4-8-14-9-6-11(7-10-14)16-12(15)13(3)5-2/h1,11H,5-10H2,2-3H3
InChIKeyIJNJKTCCHJBJON-UHFFFAOYSA-N
XLogP1.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate?
The IUPAC name of (1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate (CID 162670770) is (1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate.
What is the SMILES notation for (1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate?
The canonical SMILES for (1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate is C#CCN1CCC(OC(=O)N(C)CC)CC1.
What is the InChIKey of (1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate?
The InChIKey is IJNJKTCCHJBJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-8-14-9-6-11(7-10-14)16-12(15)13(3)5-2/h1,11H,5-10H2,2-3H3.
What are the key properties of (1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate?
(1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate has a molecular weight of 224.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-ynylpiperidin-4-yl) N-ethyl-N-methylcarbamate is sourced from PubChem (CID 162670770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).