(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol

C20H26FN3O — CID 97108511

IUPAC(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol
SMILESC[C@](O)(CNC1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-20(25,16-5-7-17(21)8-6-16)15-23-18-9-12-24(13-10-18)14-19-4-2-3-11-22-19/h2-8,11,18,23,25H,9-10,12-15H2,1H3/t20-/m0/s1
InChIKeyNCYXVGBDYRZVDG-FQEVSTJZSA-N
MW343.45 g/mol
LogP2.68
Rot. Bonds6

About (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol

(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol (PubChem CID 97108511) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol
PubChem CID97108511
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol
SMILESC[C@](O)(CNC1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-20(25,16-5-7-17(21)8-6-16)15-23-18-9-12-24(13-10-18)14-19-4-2-3-11-22-19/h2-8,11,18,23,25H,9-10,12-15H2,1H3/t20-/m0/s1
InChIKeyNCYXVGBDYRZVDG-FQEVSTJZSA-N
XLogP2.68
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-[(4-fluoropyrrolidin-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78085720
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941
N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 56823418
2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol
CID 62374506
2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol
CID 110021905
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 100675626
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol (CID 97108511) is (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol is C[C@](O)(CNC1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol?
The InChIKey is NCYXVGBDYRZVDG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-20(25,16-5-7-17(21)8-6-16)15-23-18-9-12-24(13-10-18)14-19-4-2-3-11-22-19/h2-8,11,18,23,25H,9-10,12-15H2,1H3/t20-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol?
(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol has a molecular weight of 343.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 97108511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).