tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate

C20H36N2O2 — CID 56514556

IUPACtert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(C2C=CCCC2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H36N2O2/c1-16(2)22(19(23)24-20(3,4)5)15-17-10-9-13-21(14-17)18-11-7-6-8-12-18/h7,11,16-18H,6,8-10,12-15H2,1-5H3
InChIKeyCYHBMLCCWKMPHY-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.45
Rot. Bonds4

About tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate

tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate (PubChem CID 56514556) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate
PubChem CID56514556
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Nametert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(C2C=CCCC2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H36N2O2/c1-16(2)22(19(23)24-20(3,4)5)15-17-10-9-13-21(14-17)18-11-7-6-8-12-18/h7,11,16-18H,6,8-10,12-15H2,1-5H3
InChIKeyCYHBMLCCWKMPHY-UHFFFAOYSA-N
XLogP4.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566102
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566373
tert-butyl N-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553536
tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826736
tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 60565340
tert-butyl N-[[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 60568271
tert-butyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553709
tert-butyl N-propan-2-yl-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 55826786
tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825995
tert-butyl N-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 56586751
tert-butyl N-[[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55822568
tert-butyl N-[[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825194

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate (CID 56514556) is tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate is CC(C)N(CC1CCCN(C2C=CCCC2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate?
The InChIKey is CYHBMLCCWKMPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-16(2)22(19(23)24-20(3,4)5)15-17-10-9-13-21(14-17)18-11-7-6-8-12-18/h7,11,16-18H,6,8-10,12-15H2,1-5H3.
What are the key properties of tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate has a molecular weight of 336.52 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 56514556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).