benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate

C19H19F3N2O2 — CID 70324406

IUPACbenzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate
SMILESO=C(NC1CNCC[C@@H]1c1cc(F)c(F)cc1F)OCc1ccccc1
InChIInChI=1S/C19H19F3N2O2/c20-15-9-17(22)16(21)8-14(15)13-6-7-23-10-18(13)24-19(25)26-11-12-4-2-1-3-5-12/h1-5,8-9,13,18,23H,6-7,10-11H2,(H,24,25)/t13-,18?/m1/s1
InChIKeyHBBAVYDBJCCJHT-YJJYDOSJSA-N
MW364.37 g/mol
LogP3.48
Rot. Bonds4

About benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate

benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate (PubChem CID 70324406) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate
PubChem CID70324406
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Namebenzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate
SMILESO=C(NC1CNCC[C@@H]1c1cc(F)c(F)cc1F)OCc1ccccc1
InChIInChI=1S/C19H19F3N2O2/c20-15-9-17(22)16(21)8-14(15)13-6-7-23-10-18(13)24-19(25)26-11-12-4-2-1-3-5-12/h1-5,8-9,13,18,23H,6-7,10-11H2,(H,24,25)/t13-,18?/m1/s1
InChIKeyHBBAVYDBJCCJHT-YJJYDOSJSA-N
XLogP3.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(7S,8R)-8-(2,4,5-trifluorophenyl)-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
CID 57424363
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CID 97357162
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
benzyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate
CID 91757646
benzyl N-[(3R,4R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate
CID 86761274
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
benzyl N-[2-(azetidin-3-yl)cyclobutyl]carbamate
CID 165350458
benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 123672506
benzyl N-[4-(3-phenylmethoxyphenyl)piperidin-3-yl]carbamate;tert-butyl formate
CID 174609199
benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate
CID 164556146
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate (CID 70324406) is benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate is O=C(NC1CNCC[C@@H]1c1cc(F)c(F)cc1F)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate?
The InChIKey is HBBAVYDBJCCJHT-YJJYDOSJSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-15-9-17(22)16(21)8-14(15)13-6-7-23-10-18(13)24-19(25)26-11-12-4-2-1-3-5-12/h1-5,8-9,13,18,23H,6-7,10-11H2,(H,24,25)/t13-,18?/m1/s1.
What are the key properties of benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate?
benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate has a molecular weight of 364.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 70324406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).