tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate

C20H28N2O2 — CID 102588118

IUPACtert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1c2ccccc2C=C[C@@H]1C1CCNCC1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)24-19(23)22-18-16-7-5-4-6-14(16)8-9-17(18)15-10-12-21-13-11-15/h4-9,15,17-18,21H,10-13H2,1-3H3,(H,22,23)/t17-,18+/m1/s1
InChIKeyQAEWSWNOTUIYMP-MSOLQXFVSA-N
MW328.46 g/mol
LogP3.89
Rot. Bonds2

About tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate

tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate (PubChem CID 102588118) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate
PubChem CID102588118
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Nametert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1c2ccccc2C=C[C@@H]1C1CCNCC1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)24-19(23)22-18-16-7-5-4-6-14(16)8-9-17(18)15-10-12-21-13-11-15/h4-9,15,17-18,21H,10-13H2,1-3H3,(H,22,23)/t17-,18+/m1/s1
InChIKeyQAEWSWNOTUIYMP-MSOLQXFVSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,2S)-2-(4-bromoanilino)-1,2-dihydronaphthalen-1-yl]carbamate
CID 122382364
tert-butyl N-[(1R,2S)-2-(2-phenylethynyl)-1,2-dihydronaphthalen-1-yl]carbamate
CID 134948268
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071
tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate
CID 131732939
tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 28875372
tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate
CID 84815016
tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 84815022
tert-butyl N-piperidin-4-ylcarbamate;pyridin-2-amine
CID 174858928
tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
CID 83902120
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate (CID 102588118) is tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1c2ccccc2C=C[C@@H]1C1CCNCC1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate?
The InChIKey is QAEWSWNOTUIYMP-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-20(2,3)24-19(23)22-18-16-7-5-4-6-14(16)8-9-17(18)15-10-12-21-13-11-15/h4-9,15,17-18,21H,10-13H2,1-3H3,(H,22,23)/t17-,18+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate?
tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate has a molecular weight of 328.46 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-piperidin-4-yl-1,2-dihydronaphthalen-1-yl]carbamate is sourced from PubChem (CID 102588118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).