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

C18H25FN2 — CID 83044125

IUPAC3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCCCC1CCCCN1Cc1cc(F)cc(C#CCN)c1
InChIInChI=1S/C18H25FN2/c1-2-6-18-8-3-4-10-21(18)14-16-11-15(7-5-9-20)12-17(19)13-16/h11-13,18H,2-4,6,8-10,14,20H2,1H3
InChIKeyWUWGBTNOYDODAN-UHFFFAOYSA-N
MW288.41 g/mol
LogP3.29
Rot. Bonds4

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

3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine (PubChem CID 83044125) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
PubChem CID83044125
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCCCC1CCCCN1Cc1cc(F)cc(C#CCN)c1
InChIInChI=1S/C18H25FN2/c1-2-6-18-8-3-4-10-21(18)14-16-11-15(7-5-9-20)12-17(19)13-16/h11-13,18H,2-4,6,8-10,14,20H2,1H3
InChIKeyWUWGBTNOYDODAN-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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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine (CID 83044125) is 3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine is CCCC1CCCCN1Cc1cc(F)cc(C#CCN)c1.
What is the InChIKey of 3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The InChIKey is WUWGBTNOYDODAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2/c1-2-6-18-8-3-4-10-21(18)14-16-11-15(7-5-9-20)12-17(19)13-16/h11-13,18H,2-4,6,8-10,14,20H2,1H3.
What are the key properties of 3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
3-[3-fluoro-5-[(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-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 83044125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).