3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol

C15H18FNO — CID 79710905

IUPAC3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)cc(CN2CCCCC2)c1
InChIInChI=1S/C15H18FNO/c16-15-10-13(5-4-8-18)9-14(11-15)12-17-6-2-1-3-7-17/h9-11,18H,1-3,6-8,12H2
InChIKeyYYKHGINBFSXMGP-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.16
Rot. Bonds2

About 3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol

3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol (PubChem CID 79710905) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol
PubChem CID79710905
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)cc(CN2CCCCC2)c1
InChIInChI=1S/C15H18FNO/c16-15-10-13(5-4-8-18)9-14(11-15)12-17-6-2-1-3-7-17/h9-11,18H,1-3,6-8,12H2
InChIKeyYYKHGINBFSXMGP-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79704438
3-[3-fluoro-5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 79710520
3-[3-[(3-ethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79704277
4-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1,4-diazepan-2-one
CID 79710765
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide
CID 79698373
3-[3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 106588441
3-[3-fluoro-5-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 79710004
3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 83044304
4-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol
CID 79698102
3-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 81326509
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 79698660
3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79705351

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol (CID 79710905) is 3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol is OCC#Cc1cc(F)cc(CN2CCCCC2)c1.
What is the InChIKey of 3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is YYKHGINBFSXMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c16-15-10-13(5-4-8-18)9-14(11-15)12-17-6-2-1-3-7-17/h9-11,18H,1-3,6-8,12H2.
What are the key properties of 3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol?
3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 247.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 79710905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).