N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine

C9H15FN2 — CID 167067766

IUPACN-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine
SMILESCC1CCCN(CC#CNF)C1
InChIInChI=1S/C9H15FN2/c1-9-4-2-6-12(8-9)7-3-5-11-10/h9,11H,2,4,6-8H2,1H3
InChIKeyITAJMFDMSRUQAT-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.15
Rot. Bonds1

About N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine

N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine (PubChem CID 167067766) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine.

Molecular Properties

Compound NameN-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine
PubChem CID167067766
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC NameN-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine
SMILESCC1CCCN(CC#CNF)C1
InChIInChI=1S/C9H15FN2/c1-9-4-2-6-12(8-9)7-3-5-11-10/h9,11H,2,4,6-8H2,1H3
InChIKeyITAJMFDMSRUQAT-UHFFFAOYSA-N
XLogP1.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine?
The IUPAC name of N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine (CID 167067766) is N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine.
What is the SMILES notation for N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine?
The canonical SMILES for N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine is CC1CCCN(CC#CNF)C1.
What is the InChIKey of N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine?
The InChIKey is ITAJMFDMSRUQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-9-4-2-6-12(8-9)7-3-5-11-10/h9,11H,2,4,6-8H2,1H3.
What are the key properties of N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine?
N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine has a molecular weight of 170.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-(3-methylpiperidin-1-yl)prop-1-yn-1-amine is sourced from PubChem (CID 167067766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).