2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine

C12H25FN2 — CID 167126956

IUPAC2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
SMILESCCCC(C)(CC)N1CCCC(N)C1F
InChIInChI=1S/C12H25FN2/c1-4-8-12(3,5-2)15-9-6-7-10(14)11(15)13/h10-11H,4-9,14H2,1-3H3
InChIKeyYVBSQFGKJFQFRT-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.67
Rot. Bonds4

About 2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine

2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine (PubChem CID 167126956) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
PubChem CID167126956
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
SMILESCCCC(C)(CC)N1CCCC(N)C1F
InChIInChI=1S/C12H25FN2/c1-4-8-12(3,5-2)15-9-6-7-10(14)11(15)13/h10-11H,4-9,14H2,1-3H3
InChIKeyYVBSQFGKJFQFRT-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The IUPAC name of 2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine (CID 167126956) is 2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine.
What is the SMILES notation for 2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The canonical SMILES for 2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine is CCCC(C)(CC)N1CCCC(N)C1F.
What is the InChIKey of 2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The InChIKey is YVBSQFGKJFQFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-4-8-12(3,5-2)15-9-6-7-10(14)11(15)13/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine has a molecular weight of 216.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine is sourced from PubChem (CID 167126956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).