2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

C14H21FN2O — CID 112586842

IUPAC2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCC(C1CCCCCN1)C(O)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O/c1-10(12-5-3-2-4-8-16-12)14(18)13-7-6-11(15)9-17-13/h6-7,9-10,12,14,16,18H,2-5,8H2,1H3
InChIKeyMQEPTKCDHRCEBE-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.42
Rot. Bonds3

About 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 112586842) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID112586842
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCC(C1CCCCCN1)C(O)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O/c1-10(12-5-3-2-4-8-16-12)14(18)13-7-6-11(15)9-17-13/h6-7,9-10,12,14,16,18H,2-5,8H2,1H3
InChIKeyMQEPTKCDHRCEBE-UHFFFAOYSA-N
XLogP2.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one
CID 112583451
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 102893999
5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine
CID 83124822
(1S)-1-cycloheptyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83120103
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 83120123
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409
N-[1-(5-fluoro-2-pyridinyl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621639
3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586348
(4-fluorophenyl)-piperidin-2-ylmethanamine
CID 116935636
cyclopentyl-(5-fluoro-2-pyridinyl)methanamine
CID 79721472
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
(1S,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702502

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 112586842) is 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is CC(C1CCCCCN1)C(O)c1ccc(F)cn1.
What is the InChIKey of 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is MQEPTKCDHRCEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(12-5-3-2-4-8-16-12)14(18)13-7-6-11(15)9-17-13/h6-7,9-10,12,14,16,18H,2-5,8H2,1H3.
What are the key properties of 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 112586842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).