2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile

C23H26FN3O — CID 71541575

IUPAC2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile
SMILESCN1CCC(COCc2cc(C#N)cc(C3CC3)n2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN3O/c1-27-10-8-23(9-11-27,19-4-6-20(24)7-5-19)16-28-15-21-12-17(14-25)13-22(26-21)18-2-3-18/h4-7,12-13,18H,2-3,8-11,15-16H2,1H3
InChIKeyDTQNTNJTPOGBBI-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.15
Rot. Bonds6

About 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile

2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile (PubChem CID 71541575) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile
PubChem CID71541575
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile
SMILESCN1CCC(COCc2cc(C#N)cc(C3CC3)n2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN3O/c1-27-10-8-23(9-11-27,19-4-6-20(24)7-5-19)16-28-15-21-12-17(14-25)13-22(26-21)18-2-3-18/h4-7,12-13,18H,2-3,8-11,15-16H2,1H3
InChIKeyDTQNTNJTPOGBBI-UHFFFAOYSA-N
XLogP4.15
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile (CID 71541575) is 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile is CN1CCC(COCc2cc(C#N)cc(C3CC3)n2)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile?
The InChIKey is DTQNTNJTPOGBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-27-10-8-23(9-11-27,19-4-6-20(24)7-5-19)16-28-15-21-12-17(14-25)13-22(26-21)18-2-3-18/h4-7,12-13,18H,2-3,8-11,15-16H2,1H3.
What are the key properties of 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile?
2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile has a molecular weight of 379.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile is sourced from PubChem (CID 71541575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).