benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate

C15H19F3N2O2 — CID 97168559

IUPACbenzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate
SMILESO=C(OCc1ccccc1)N(C[C@H]1CCCCN1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)20(10-13-8-4-5-9-19-13)14(21)22-11-12-6-2-1-3-7-12/h1-3,6-7,13,19H,4-5,8-11H2/t13-/m1/s1
InChIKeyFCGKOTIDFDUPTK-CYBMUJFWSA-N
MW316.32 g/mol
LogP3.29
Rot. Bonds4

About benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate

benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate (PubChem CID 97168559) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate
PubChem CID97168559
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Namebenzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate
SMILESO=C(OCc1ccccc1)N(C[C@H]1CCCCN1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)20(10-13-8-4-5-9-19-13)14(21)22-11-12-6-2-1-3-7-12/h1-3,6-7,13,19H,4-5,8-11H2/t13-/m1/s1
InChIKeyFCGKOTIDFDUPTK-CYBMUJFWSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide
CID 97170855
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773
N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 89362918
benzyl 4-methyl-2-[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]pentanoate;hydrochloride
CID 158388388
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
CID 86319530
benzyl N-[butanoyl(pyrrolidin-2-ylmethyl)amino]carbamate
CID 67665184
2-phenylmethoxy-5-[[(2S)-pyrrolidin-2-yl]methoxy]-2-(trifluoromethyl)pentanoic acid
CID 163376954
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate?
The IUPAC name of benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate (CID 97168559) is benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate.
What is the SMILES notation for benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate?
The canonical SMILES for benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate is O=C(OCc1ccccc1)N(C[C@H]1CCCCN1)C(F)(F)F.
What is the InChIKey of benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate?
The InChIKey is FCGKOTIDFDUPTK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)20(10-13-8-4-5-9-19-13)14(21)22-11-12-6-2-1-3-7-12/h1-3,6-7,13,19H,4-5,8-11H2/t13-/m1/s1.
What are the key properties of benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate?
benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate has a molecular weight of 316.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate is sourced from PubChem (CID 97168559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).