ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol

C14H23FN2O — CID 172630694

IUPACethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol
SMILESCC.Cc1ccc(N2CCC(F)(CO)CC2)nc1
InChIInChI=1S/C12H17FN2O.C2H6/c1-10-2-3-11(14-8-10)15-6-4-12(13,9-16)5-7-15;1-2/h2-3,8,16H,4-7,9H2,1H3;1-2H3
InChIKeyIOCAKJXEGLFACS-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.72
Rot. Bonds2

About ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol

ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol (PubChem CID 172630694) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol
PubChem CID172630694
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Nameethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol
SMILESCC.Cc1ccc(N2CCC(F)(CO)CC2)nc1
InChIInChI=1S/C12H17FN2O.C2H6/c1-10-2-3-11(14-8-10)15-6-4-12(13,9-16)5-7-15;1-2/h2-3,8,16H,4-7,9H2,1H3;1-2H3
InChIKeyIOCAKJXEGLFACS-UHFFFAOYSA-N
XLogP2.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-7-(5-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane;ethane
CID 144539338
8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79026576
CID 59766715
CID 59766715
butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231
2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 59676617
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
1-(5-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 171337954
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 80679968
1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine
CID 143774965
2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681880
5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 155742359

Frequently Asked Questions

What is the IUPAC name of ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol?
The IUPAC name of ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol (CID 172630694) is ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol.
What is the SMILES notation for ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol?
The canonical SMILES for ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol is CC.Cc1ccc(N2CCC(F)(CO)CC2)nc1.
What is the InChIKey of ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol?
The InChIKey is IOCAKJXEGLFACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O.C2H6/c1-10-2-3-11(14-8-10)15-6-4-12(13,9-16)5-7-15;1-2/h2-3,8,16H,4-7,9H2,1H3;1-2H3.
What are the key properties of ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol?
ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol has a molecular weight of 254.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol is sourced from PubChem (CID 172630694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).