3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol

C18H24FNO — CID 83044307

IUPAC3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
SMILESCCCC1CCCCN1Cc1ccc(C#CCO)cc1F
InChIInChI=1S/C18H24FNO/c1-2-6-17-8-3-4-11-20(17)14-16-10-9-15(7-5-12-21)13-18(16)19/h9-10,13,17,21H,2-4,6,8,11-12,14H2,1H3
InChIKeyOFDWDMAUGIUWPB-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.32
Rot. Bonds4

About 3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol

3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol (PubChem CID 83044307) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
PubChem CID83044307
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
SMILESCCCC1CCCCN1Cc1ccc(C#CCO)cc1F
InChIInChI=1S/C18H24FNO/c1-2-6-17-8-3-4-11-20(17)14-16-10-9-15(7-5-12-21)13-18(16)19/h9-10,13,17,21H,2-4,6,8,11-12,14H2,1H3
InChIKeyOFDWDMAUGIUWPB-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.32
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-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 83044304
3-[3-fluoro-4-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 102789146
3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83046101
1-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104512526
4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
CID 64767866
4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 83044306
3-[4-[(4,4-dimethylazepan-1-yl)methyl]-3-fluorophenyl]prop-2-yn-1-ol
CID 65282605
4-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylpiperazin-2-one
CID 63606327
1-[(4-bromo-2-fluorophenyl)methyl]-2-ethylazepane
CID 113441891
2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 61009992
3-[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969684
3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83044125

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol (CID 83044307) is 3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol is CCCC1CCCCN1Cc1ccc(C#CCO)cc1F.
What is the InChIKey of 3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The InChIKey is OFDWDMAUGIUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-2-6-17-8-3-4-11-20(17)14-16-10-9-15(7-5-12-21)13-18(16)19/h9-10,13,17,21H,2-4,6,8,11-12,14H2,1H3.
What are the key properties of 3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol has a molecular weight of 289.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 83044307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).