tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate

C16H22N2O2 — CID 20806989

IUPACtert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN=C1c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)18-13-10-7-11-17-14(13)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,18,19)
InChIKeyOPEFSBMQSSJIRD-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate

tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate (PubChem CID 20806989) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate
PubChem CID20806989
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nametert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN=C1c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)18-13-10-7-11-17-14(13)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,18,19)
InChIKeyOPEFSBMQSSJIRD-UHFFFAOYSA-N
XLogP3.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
tert-butyl N-(2-phenylethyl)carbamate
CID 3541750
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856
tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]amino]octyl]carbamate
CID 53326110
tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate
CID 53320210
tert-butyl N-[3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propyl]carbamate
CID 53321313
tert-butyl N-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]butyl]carbamate
CID 53323968
tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate
CID 14925139
tert-butyl N-(4-amino-4-phenylbutyl)carbamate
CID 16795070

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate?
The IUPAC name of tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate (CID 20806989) is tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate is CC(C)(C)OC(=O)NC1CCCN=C1c1ccccc1.
What is the InChIKey of tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate?
The InChIKey is OPEFSBMQSSJIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)18-13-10-7-11-17-14(13)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate?
tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate has a molecular weight of 274.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-phenyl-2,3,4,5-tetrahydropyridin-5-yl)carbamate is sourced from PubChem (CID 20806989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).