3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol

C17H27FN2O — CID 62630682

IUPAC3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
SMILESCCN1CCC(N(C)CCC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H27FN2O/c1-3-20-11-7-16(8-12-20)19(2)10-9-17(21)14-5-4-6-15(18)13-14/h4-6,13,16-17,21H,3,7-12H2,1-2H3
InChIKeyVDVJCAIBHWHBJA-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.67
Rot. Bonds6

About 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol

3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol (PubChem CID 62630682) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
PubChem CID62630682
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
SMILESCCN1CCC(N(C)CCC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H27FN2O/c1-3-20-11-7-16(8-12-20)19(2)10-9-17(21)14-5-4-6-15(18)13-14/h4-6,13,16-17,21H,3,7-12H2,1-2H3
InChIKeyVDVJCAIBHWHBJA-UHFFFAOYSA-N
XLogP2.67
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62630319
3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62630321
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 82135958
3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 55156133
3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
CID 102997262
3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 62643359
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628587
3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62629130
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol (CID 62630682) is 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol is CCN1CCC(N(C)CCC(O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is VDVJCAIBHWHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-20-11-7-16(8-12-20)19(2)10-9-17(21)14-5-4-6-15(18)13-14/h4-6,13,16-17,21H,3,7-12H2,1-2H3.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol?
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 294.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 62630682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).