1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol

C16H21FN2O — CID 114681113

IUPAC1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2ccc(F)c(C#CCN)c2)CCC1O
InChIInChI=1S/C16H21FN2O/c1-12-10-19(8-6-16(12)20)11-13-4-5-15(17)14(9-13)3-2-7-18/h4-5,9,12,16,20H,6-8,10-11,18H2,1H3
InChIKeyGYDHWGLZBZXBHX-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.34
Rot. Bonds2

About 1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol

1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol (PubChem CID 114681113) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol
PubChem CID114681113
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2ccc(F)c(C#CCN)c2)CCC1O
InChIInChI=1S/C16H21FN2O/c1-12-10-19(8-6-16(12)20)11-13-4-5-15(17)14(9-13)3-2-7-18/h4-5,9,12,16,20H,6-8,10-11,18H2,1H3
InChIKeyGYDHWGLZBZXBHX-UHFFFAOYSA-N
XLogP1.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114681109
3-[2-fluoro-5-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 115966719
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
4-[2-fluoro-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 64597866
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81208434
1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol
CID 62942831
1-[(4-amino-3-nitrophenyl)methyl]-3-methylpiperidin-4-ol
CID 114681747
5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883133
1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]pyrrolidin-2-one
CID 54970102
4-fluoro-3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 114678673
3-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 79184556

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol (CID 114681113) is 1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2ccc(F)c(C#CCN)c2)CCC1O.
What is the InChIKey of 1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol?
The InChIKey is GYDHWGLZBZXBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-12-10-19(8-6-16(12)20)11-13-4-5-15(17)14(9-13)3-2-7-18/h4-5,9,12,16,20H,6-8,10-11,18H2,1H3.
What are the key properties of 1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol?
1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol has a molecular weight of 276.36 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).