1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol

C17H26FNO — CID 79704324

IUPAC1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cc(C)cc(F)c1)N1CCCCC1
InChIInChI=1S/C17H26FNO/c1-4-17(3,19-8-6-5-7-9-19)16(20)14-10-13(2)11-15(18)12-14/h10-12,16,20H,4-9H2,1-3H3
InChIKeyZNFWOCMVFPIFRK-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.82
Rot. Bonds4

About 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol

1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol (PubChem CID 79704324) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
PubChem CID79704324
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cc(C)cc(F)c1)N1CCCCC1
InChIInChI=1S/C17H26FNO/c1-4-17(3,19-8-6-5-7-9-19)16(20)14-10-13(2)11-15(18)12-14/h10-12,16,20H,4-9H2,1-3H3
InChIKeyZNFWOCMVFPIFRK-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol (CID 79704324) is 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol is CCC(C)(C(O)c1cc(C)cc(F)c1)N1CCCCC1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The InChIKey is ZNFWOCMVFPIFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-17(3,19-8-6-5-7-9-19)16(20)14-10-13(2)11-15(18)12-14/h10-12,16,20H,4-9H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 79704324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).