(3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol

C16H26FN3O — CID 16676732

IUPAC(3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol
SMILESCN(C)CCN[C@@H]1CCN(Cc2ccccc2F)C[C@H]1O
InChIInChI=1S/C16H26FN3O/c1-19(2)10-8-18-15-7-9-20(12-16(15)21)11-13-5-3-4-6-14(13)17/h3-6,15-16,18,21H,7-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyCPHONEXGHMIJDJ-HZPDHXFCSA-N
MW295.40 g/mol
LogP0.91
Rot. Bonds6

About (3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol

(3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol (PubChem CID 16676732) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is (3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol
PubChem CID16676732
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name(3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol
SMILESCN(C)CCN[C@@H]1CCN(Cc2ccccc2F)C[C@H]1O
InChIInChI=1S/C16H26FN3O/c1-19(2)10-8-18-15-7-9-20(12-16(15)21)11-13-5-3-4-6-14(13)17/h3-6,15-16,18,21H,7-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyCPHONEXGHMIJDJ-HZPDHXFCSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol (CID 16676732) is (3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol is CN(C)CCN[C@@H]1CCN(Cc2ccccc2F)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol?
The InChIKey is CPHONEXGHMIJDJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-19(2)10-8-18-15-7-9-20(12-16(15)21)11-13-5-3-4-6-14(13)17/h3-6,15-16,18,21H,7-12H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol?
(3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol has a molecular weight of 295.40 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 16676732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).