[5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol

C19H23FN2O — CID 126432860

IUPAC[5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol
SMILESC[C@@H](c1ccc(-c2cc(CO)ncc2F)cc1)N1CCCCC1
InChIInChI=1S/C19H23FN2O/c1-14(22-9-3-2-4-10-22)15-5-7-16(8-6-15)18-11-17(13-23)21-12-19(18)20/h5-8,11-12,14,23H,2-4,9-10,13H2,1H3/t14-/m0/s1
InChIKeyKDHWDKPWKBWJEW-AWEZNQCLSA-N
MW314.40 g/mol
LogP3.93
Rot. Bonds4

About [5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol

[5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol (PubChem CID 126432860) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is [5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol
PubChem CID126432860
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name[5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol
SMILESC[C@@H](c1ccc(-c2cc(CO)ncc2F)cc1)N1CCCCC1
InChIInChI=1S/C19H23FN2O/c1-14(22-9-3-2-4-10-22)15-5-7-16(8-6-15)18-11-17(13-23)21-12-19(18)20/h5-8,11-12,14,23H,2-4,9-10,13H2,1H3/t14-/m0/s1
InChIKeyKDHWDKPWKBWJEW-AWEZNQCLSA-N
XLogP3.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 126453075
4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
CID 126433720
2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine
CID 50977546
3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 143128965
5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
CID 77093885
3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one
CID 97436737
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
CID 125436875
4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine
CID 74230024
2-[3-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1,2,4-triazol-1-yl]acetic acid
CID 125440785
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
1-[4-(1-pyrrolidin-1-ylethyl)phenyl]ethanamine;hydrochloride
CID 67217460

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol?
The IUPAC name of [5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol (CID 126432860) is [5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol is C[C@@H](c1ccc(-c2cc(CO)ncc2F)cc1)N1CCCCC1.
What is the InChIKey of [5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol?
The InChIKey is KDHWDKPWKBWJEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14(22-9-3-2-4-10-22)15-5-7-16(8-6-15)18-11-17(13-23)21-12-19(18)20/h5-8,11-12,14,23H,2-4,9-10,13H2,1H3/t14-/m0/s1.
What are the key properties of [5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol?
[5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol has a molecular weight of 314.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 126432860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).