tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate

C14H25F3N2O3 — CID 86792769

IUPACtert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O3/c1-13(2,3)22-12(21)18(4)10-6-5-7-19(8-10)9-11(20)14(15,16)17/h10-11,20H,5-9H2,1-4H3
InChIKeyBFHNTDFNJYYNJD-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate (PubChem CID 86792769) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate
PubChem CID86792769
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Nametert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O3/c1-13(2,3)22-12(21)18(4)10-6-5-7-19(8-10)9-11(20)14(15,16)17/h10-11,20H,5-9H2,1-4H3
InChIKeyBFHNTDFNJYYNJD-UHFFFAOYSA-N
XLogP2.24
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
tert-butyl N-methyl-N-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]carbamate
CID 71861813
tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 119028664
N-cyclobutyl-N-[(4S)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azepan-4-yl]acetamide
CID 129330933
tert-butyl N-methyl-N-(1-methylsulfonylpiperidin-3-yl)carbamate
CID 154068887
tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]carbamate
CID 97167013
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
CID 63901490
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate
CID 97167011
ethyl (3S)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxylate
CID 113330813
tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate
CID 97167017
1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 104567152

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate (CID 86792769) is tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate?
The InChIKey is BFHNTDFNJYYNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-13(2,3)22-12(21)18(4)10-6-5-7-19(8-10)9-11(20)14(15,16)17/h10-11,20H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate has a molecular weight of 326.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 86792769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).