tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid

C16H22F3N3O3 — CID 118341242

IUPACtert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid
SMILESCC(C)(C)N(CC1CN(c2ccc(C(F)(F)F)cn2)CCO1)C(=O)O
InChIInChI=1S/C16H22F3N3O3/c1-15(2,3)22(14(23)24)10-12-9-21(6-7-25-12)13-5-4-11(8-20-13)16(17,18)19/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,23,24)
InChIKeyPAXYDWFTXMDCNE-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.08
Rot. Bonds3

About tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid

tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid (PubChem CID 118341242) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid
PubChem CID118341242
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Nametert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid
SMILESCC(C)(C)N(CC1CN(c2ccc(C(F)(F)F)cn2)CCO1)C(=O)O
InChIInChI=1S/C16H22F3N3O3/c1-15(2,3)22(14(23)24)10-12-9-21(6-7-25-12)13-5-4-11(8-20-13)16(17,18)19/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,23,24)
InChIKeyPAXYDWFTXMDCNE-UHFFFAOYSA-N
XLogP3.08
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835
2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965247
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1,2-dicarboxylic acid
CID 90744981
1-[4-(5-ethyl-2-pyridinyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 70962971
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491
6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 79839721
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid (CID 118341242) is tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid is CC(C)(C)N(CC1CN(c2ccc(C(F)(F)F)cn2)CCO1)C(=O)O.
What is the InChIKey of tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid?
The InChIKey is PAXYDWFTXMDCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-15(2,3)22(14(23)24)10-12-9-21(6-7-25-12)13-5-4-11(8-20-13)16(17,18)19/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid?
tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid has a molecular weight of 361.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid is sourced from PubChem (CID 118341242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).