(1-prop-1-enylpiperidin-3-yl) carbamate

C9H16N2O2 — CID 175488426

IUPAC(1-prop-1-enylpiperidin-3-yl) carbamate
SMILESCC=CN1CCCC(OC(N)=O)C1
InChIInChI=1S/C9H16N2O2/c1-2-5-11-6-3-4-8(7-11)13-9(10)12/h2,5,8H,3-4,6-7H2,1H3,(H2,10,12)
InChIKeyQDBKAQXUPQJQMO-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.08
Rot. Bonds2

About (1-prop-1-enylpiperidin-3-yl) carbamate

(1-prop-1-enylpiperidin-3-yl) carbamate (PubChem CID 175488426) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1-prop-1-enylpiperidin-3-yl) carbamate.

Molecular Properties

Compound Name(1-prop-1-enylpiperidin-3-yl) carbamate
PubChem CID175488426
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(1-prop-1-enylpiperidin-3-yl) carbamate
SMILESCC=CN1CCCC(OC(N)=O)C1
InChIInChI=1S/C9H16N2O2/c1-2-5-11-6-3-4-8(7-11)13-9(10)12/h2,5,8H,3-4,6-7H2,1H3,(H2,10,12)
InChIKeyQDBKAQXUPQJQMO-UHFFFAOYSA-N
XLogP1.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-prop-1-enylpiperidin-3-yl) carbamate?
The IUPAC name of (1-prop-1-enylpiperidin-3-yl) carbamate (CID 175488426) is (1-prop-1-enylpiperidin-3-yl) carbamate.
What is the SMILES notation for (1-prop-1-enylpiperidin-3-yl) carbamate?
The canonical SMILES for (1-prop-1-enylpiperidin-3-yl) carbamate is CC=CN1CCCC(OC(N)=O)C1.
What is the InChIKey of (1-prop-1-enylpiperidin-3-yl) carbamate?
The InChIKey is QDBKAQXUPQJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-5-11-6-3-4-8(7-11)13-9(10)12/h2,5,8H,3-4,6-7H2,1H3,(H2,10,12).
What are the key properties of (1-prop-1-enylpiperidin-3-yl) carbamate?
(1-prop-1-enylpiperidin-3-yl) carbamate has a molecular weight of 184.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-1-enylpiperidin-3-yl) carbamate is sourced from PubChem (CID 175488426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).