3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol

C15H23FN2O — CID 112586348

IUPAC3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
SMILESCCC1CCCN1CC(C)C(O)c1ccc(F)cn1
InChIInChI=1S/C15H23FN2O/c1-3-13-5-4-8-18(13)10-11(2)15(19)14-7-6-12(16)9-17-14/h6-7,9,11,13,15,19H,3-5,8,10H2,1-2H3
InChIKeyVCBHWHAOGUGRPL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.76
Rot. Bonds5

About 3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol

3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol (PubChem CID 112586348) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
PubChem CID112586348
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
SMILESCCC1CCCN1CC(C)C(O)c1ccc(F)cn1
InChIInChI=1S/C15H23FN2O/c1-3-13-5-4-8-18(13)10-11(2)15(19)14-7-6-12(16)9-17-14/h6-7,9,11,13,15,19H,3-5,8,10H2,1-2H3
InChIKeyVCBHWHAOGUGRPL-UHFFFAOYSA-N
XLogP2.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
3-(4,4-dimethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941620
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886634
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol
CID 115941592
3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 104692034
2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107519853
(1S)-1-[5-(2-ethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132296
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409
[1-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]pyrrolidin-2-yl]methanol
CID 83126571
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115941597
3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941544
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126722

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol (CID 112586348) is 3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol is CCC1CCCN1CC(C)C(O)c1ccc(F)cn1.
What is the InChIKey of 3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is VCBHWHAOGUGRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-13-5-4-8-18(13)10-11(2)15(19)14-7-6-12(16)9-17-14/h6-7,9,11,13,15,19H,3-5,8,10H2,1-2H3.
What are the key properties of 3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 112586348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).