3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine

C18H25FN2 — CID 83046101

IUPAC3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCCCC1CCCCN1Cc1ccc(F)cc1C#CCN
InChIInChI=1S/C18H25FN2/c1-2-6-18-8-3-4-12-21(18)14-16-9-10-17(19)13-15(16)7-5-11-20/h9-10,13,18H,2-4,6,8,11-12,14,20H2,1H3
InChIKeyJZDJSNYYGBDIAW-UHFFFAOYSA-N
MW288.41 g/mol
LogP3.29
Rot. Bonds4

About 3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine

3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine (PubChem CID 83046101) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
PubChem CID83046101
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCCCC1CCCCN1Cc1ccc(F)cc1C#CCN
InChIInChI=1S/C18H25FN2/c1-2-6-18-8-3-4-12-21(18)14-16-9-10-17(19)13-15(16)7-5-11-20/h9-10,13,18H,2-4,6,8,11-12,14,20H2,1H3
InChIKeyJZDJSNYYGBDIAW-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.29
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-amine
CID 83044125
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110
5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 83055936
3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 83044307
2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile
CID 113284504
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 83044306
1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-4-propylpyrrolidin-2-one
CID 104512489
2-[(2-ethylpiperidin-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63292628
3-[2-[(2,3-dimethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 62124665
3-[2-[(2-ethylazepan-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 104691414
3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
CID 107208527

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine (CID 83046101) is 3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine is CCCC1CCCCN1Cc1ccc(F)cc1C#CCN.
What is the InChIKey of 3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The InChIKey is JZDJSNYYGBDIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2/c1-2-6-18-8-3-4-12-21(18)14-16-9-10-17(19)13-15(16)7-5-11-20/h9-10,13,18H,2-4,6,8,11-12,14,20H2,1H3.
What are the key properties of 3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine has a molecular weight of 288.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 83046101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).