[1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate

C23H29FN2O2 — CID 166652951

IUPAC[1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(c2ccccc2F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29FN2O2/c1-22(2,3)25-21(27)28-23(19-11-7-8-12-20(19)24)13-15-26(16-14-23)17-18-9-5-4-6-10-18/h4-12H,13-17H2,1-3H3,(H,25,27)
InChIKeyVEYUIODRICRRQT-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.84
Rot. Bonds4

About [1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate

[1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 166652951) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is [1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate
PubChem CID166652951
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name[1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(c2ccccc2F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29FN2O2/c1-22(2,3)25-21(27)28-23(19-11-7-8-12-20(19)24)13-15-26(16-14-23)17-18-9-5-4-6-10-18/h4-12H,13-17H2,1-3H3,(H,25,27)
InChIKeyVEYUIODRICRRQT-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-benzyl-4-(2,4-difluorophenyl)piperidin-4-yl]carbamate
CID 166070730
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
CID 62399064
tert-butyl N-(1-benzyl-4-methylpiperidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 139535988
4-(2-fluorophenyl)-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-ol
CID 16676314
tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate (CID 166652951) is [1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1(c2ccccc2F)CCN(Cc2ccccc2)CC1.
What is the InChIKey of [1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is VEYUIODRICRRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-22(2,3)25-21(27)28-23(19-11-7-8-12-20(19)24)13-15-26(16-14-23)17-18-9-5-4-6-10-18/h4-12H,13-17H2,1-3H3,(H,25,27).
What are the key properties of [1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate?
[1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 384.50 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 166652951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).