[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate

C22H26N2O2 — CID 162674028

IUPAC[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C22H26N2O2/c25-22(23-20-8-2-1-3-9-20)26-16-17-10-12-24(13-11-17)21-14-18-6-4-5-7-19(18)15-21/h1-9,17,21H,10-16H2,(H,23,25)
InChIKeyTVXNBKDMGAGSDZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.11
Rot. Bonds4

About [1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate

[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate (PubChem CID 162674028) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate
PubChem CID162674028
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C22H26N2O2/c25-22(23-20-8-2-1-3-9-20)26-16-17-10-12-24(13-11-17)21-14-18-6-4-5-7-19(18)15-21/h1-9,17,21H,10-16H2,(H,23,25)
InChIKeyTVXNBKDMGAGSDZ-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate (CID 162674028) is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate is O=C(Nc1ccccc1)OCC1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate?
The InChIKey is TVXNBKDMGAGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(23-20-8-2-1-3-9-20)26-16-17-10-12-24(13-11-17)21-14-18-6-4-5-7-19(18)15-21/h1-9,17,21H,10-16H2,(H,23,25).
What are the key properties of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate?
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate has a molecular weight of 350.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-phenylcarbamate is sourced from PubChem (CID 162674028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).