6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine

C14H29FN2 — CID 167068273

IUPAC6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine
SMILESCCCCCC(C)(CC)NC1CCC(F)NC1
InChIInChI=1S/C14H29FN2/c1-4-6-7-10-14(3,5-2)17-12-8-9-13(15)16-11-12/h12-13,16-17H,4-11H2,1-3H3
InChIKeySMBQVJHNIBIHKU-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.37
Rot. Bonds7

About 6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine

6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine (PubChem CID 167068273) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine
PubChem CID167068273
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine
SMILESCCCCCC(C)(CC)NC1CCC(F)NC1
InChIInChI=1S/C14H29FN2/c1-4-6-7-10-14(3,5-2)17-12-8-9-13(15)16-11-12/h12-13,16-17H,4-11H2,1-3H3
InChIKeySMBQVJHNIBIHKU-UHFFFAOYSA-N
XLogP3.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine?
The IUPAC name of 6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine (CID 167068273) is 6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine.
What is the SMILES notation for 6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine?
The canonical SMILES for 6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine is CCCCCC(C)(CC)NC1CCC(F)NC1.
What is the InChIKey of 6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine?
The InChIKey is SMBQVJHNIBIHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-4-6-7-10-14(3,5-2)17-12-8-9-13(15)16-11-12/h12-13,16-17H,4-11H2,1-3H3.
What are the key properties of 6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine?
6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine has a molecular weight of 244.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine is sourced from PubChem (CID 167068273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).