N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C18H19F5N4O — CID 172892926

IUPACN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)Oc1ccccc1CN1CCCC(Nc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C18H19F5N4O/c19-16(20)28-14-6-2-1-4-12(14)10-27-9-3-5-13(11-27)25-17-24-8-7-15(26-17)18(21,22)23/h1-2,4,6-8,13,16H,3,5,9-11H2,(H,24,25,26)
InChIKeyZIDGUKCOJASZTO-UHFFFAOYSA-N
MW402.37 g/mol
LogP4.17
Rot. Bonds6

About N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 172892926) has the molecular formula C18H19F5N4O and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID172892926
Molecular FormulaC18H19F5N4O
Molecular Weight402.37 g/mol
Exact Mass402.15
IUPAC NameN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)Oc1ccccc1CN1CCCC(Nc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C18H19F5N4O/c19-16(20)28-14-6-2-1-4-12(14)10-27-9-3-5-13(11-27)25-17-24-8-7-15(26-17)18(21,22)23/h1-2,4,6-8,13,16H,3,5,9-11H2,(H,24,25,26)
InChIKeyZIDGUKCOJASZTO-UHFFFAOYSA-N
XLogP4.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172892877
N-[1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 172881664
4-(azepan-1-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086418
N-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172881633
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133308848
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
N-(1-cyclopentylpyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133292243
N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172893142
4-(azepan-1-yl)-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 23086015
2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270306
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 172892926) is N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)Oc1ccccc1CN1CCCC(Nc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZIDGUKCOJASZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F5N4O/c19-16(20)28-14-6-2-1-4-12(14)10-27-9-3-5-13(11-27)25-17-24-8-7-15(26-17)18(21,22)23/h1-2,4,6-8,13,16H,3,5,9-11H2,(H,24,25,26).
What are the key properties of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 402.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 172892926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).