tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate

C13H24N2O2 — CID 175488421

IUPACtert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate
SMILESCC=CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-5-8-15-9-6-11(7-10-15)14-12(16)17-13(2,3)4/h5,8,11H,6-7,9-10H2,1-4H3,(H,14,16)
InChIKeyBYQFKYHLQUGIOU-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate

tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate (PubChem CID 175488421) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate
PubChem CID175488421
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate
SMILESCC=CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-5-8-15-9-6-11(7-10-15)14-12(16)17-13(2,3)4/h5,8,11H,6-7,9-10H2,1-4H3,(H,14,16)
InChIKeyBYQFKYHLQUGIOU-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid
CID 19706124
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate
CID 59130918
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate (CID 175488421) is tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate is CC=CN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate?
The InChIKey is BYQFKYHLQUGIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-8-15-9-6-11(7-10-15)14-12(16)17-13(2,3)4/h5,8,11H,6-7,9-10H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate?
tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate is sourced from PubChem (CID 175488421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).