[1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

C19H24F3N3O — CID 42592653

IUPAC[1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCn1cc(CN2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C19H24F3N3O/c1-24-12-15(11-23-24)13-25-8-6-18(14-26,7-9-25)10-16-4-2-3-5-17(16)19(20,21)22/h2-5,11-12,26H,6-10,13-14H2,1H3
InChIKeyDWNARADGOFRZFD-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.26
Rot. Bonds5

About [1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

[1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 42592653) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID42592653
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name[1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCn1cc(CN2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C19H24F3N3O/c1-24-12-15(11-23-24)13-25-8-6-18(14-26,7-9-25)10-16-4-2-3-5-17(16)19(20,21)22/h2-5,11-12,26H,6-10,13-14H2,1H3
InChIKeyDWNARADGOFRZFD-UHFFFAOYSA-N
XLogP3.26
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-4-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 16187571
{3-benzyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188140
[1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 16188178
ethyl 1-[3-(1H-pyrazol-1-yl)propyl]-4-[2-(trifluoromethyl)benzyl]piperidine-4-carboxylate
CID 16189023
{3-(3-chlorobenzyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16189190
{3-(3-chlorobenzyl)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16189964
{1-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-[3-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 16191315
[1-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 16191943
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56861411
[1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 24792092
(4-benzyl-1-{[1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)methanol
CID 16189984
1-(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-3-phenyl-1-propanol
CID 16190683

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 42592653) is [1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is Cn1cc(CN2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)cn1.
What is the InChIKey of [1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is DWNARADGOFRZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-24-12-15(11-23-24)13-25-8-6-18(14-26,7-9-25)10-16-4-2-3-5-17(16)19(20,21)22/h2-5,11-12,26H,6-10,13-14H2,1H3.
What are the key properties of [1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 367.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 42592653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).