2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol

C15H23FN2O — CID 104738047

IUPAC2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol
SMILESCC(C)(C(O)c1ccncc1F)N1CCCCCC1
InChIInChI=1S/C15H23FN2O/c1-15(2,18-9-5-3-4-6-10-18)14(19)12-7-8-17-11-13(12)16/h7-8,11,14,19H,3-6,9-10H2,1-2H3
InChIKeyXAXPJPDGUUUHDN-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.91
Rot. Bonds3

About 2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol

2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol (PubChem CID 104738047) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol
PubChem CID104738047
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol
SMILESCC(C)(C(O)c1ccncc1F)N1CCCCCC1
InChIInChI=1S/C15H23FN2O/c1-15(2,18-9-5-3-4-6-10-18)14(19)12-7-8-17-11-13(12)16/h7-8,11,14,19H,3-6,9-10H2,1-2H3
InChIKeyXAXPJPDGUUUHDN-UHFFFAOYSA-N
XLogP2.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
CID 79045471
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 104738438
1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 113447268
2-(azepan-1-yl)-2-methyl-1-pyrimidin-5-ylpropan-1-ol
CID 79051209
2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol
CID 79045835
1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79056202
1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-ol
CID 107128539
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
CID 115834007
1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79056113
2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
CID 79051966
1-(3-fluoro-4-pyridinyl)prop-2-yn-1-ol
CID 105106256
(1,4-dimethyl-1,4-diazepan-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 104738105

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol (CID 104738047) is 2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol is CC(C)(C(O)c1ccncc1F)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is XAXPJPDGUUUHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-15(2,18-9-5-3-4-6-10-18)14(19)12-7-8-17-11-13(12)16/h7-8,11,14,19H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol?
2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 104738047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).