[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone

C19H24F3NO2 — CID 23723853

IUPAC[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C19H24F3NO2/c1-17(5-6-17)16(25)23-9-7-18(13-24,8-10-23)12-14-3-2-4-15(11-14)19(20,21)22/h2-4,11,24H,5-10,12-13H2,1H3
InChIKeyUKTGJQUTMWFHOO-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.65
Rot. Bonds4

About [4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone

[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 23723853) has the molecular formula C19H24F3NO2 and a molecular weight of 355.40 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID23723853
Molecular FormulaC19H24F3NO2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C19H24F3NO2/c1-17(5-6-17)16(25)23-9-7-18(13-24,8-10-23)12-14-3-2-4-15(11-14)19(20,21)22/h2-4,11,24H,5-10,12-13H2,1H3
InChIKeyUKTGJQUTMWFHOO-UHFFFAOYSA-N
XLogP3.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (CID 23723853) is [4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of [4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is UKTGJQUTMWFHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO2/c1-17(5-6-17)16(25)23-9-7-18(13-24,8-10-23)12-14-3-2-4-15(11-14)19(20,21)22/h2-4,11,24H,5-10,12-13H2,1H3.
What are the key properties of [4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 355.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 23723853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).