3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine

C21H42FN — CID 174348955

IUPAC3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine
SMILESCCCCCCCC(CCCCCCC)N1CCCC(C)(F)C1
InChIInChI=1S/C21H42FN/c1-4-6-8-10-12-15-20(16-13-11-9-7-5-2)23-18-14-17-21(3,22)19-23/h20H,4-19H2,1-3H3
InChIKeyHSTRJGJEUATPGV-UHFFFAOYSA-N
MW327.57 g/mol
LogP6.90
Rot. Bonds13

About 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine

3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine (PubChem CID 174348955) has the molecular formula C21H42FN and a molecular weight of 327.57 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine
PubChem CID174348955
Molecular FormulaC21H42FN
Molecular Weight327.57 g/mol
Exact Mass327.33
IUPAC Name3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine
SMILESCCCCCCCC(CCCCCCC)N1CCCC(C)(F)C1
InChIInChI=1S/C21H42FN/c1-4-6-8-10-12-15-20(16-13-11-9-7-5-2)23-18-14-17-21(3,22)19-23/h20H,4-19H2,1-3H3
InChIKeyHSTRJGJEUATPGV-UHFFFAOYSA-N
XLogP6.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.57
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-pentadecan-8-ylpiperidine
CID 139447357
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-decan-4-ylpiperidine
CID 142178259
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
1-octadecan-4-ylaziridine
CID 87223215
4-pentadecan-8-ylthiomorpholine
CID 134320979
1-decan-3-ylpiperidine
CID 68984931
1-(1-iodononan-2-yl)pyrrolidine
CID 69028048
(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700
2-(azocan-1-yl)nonan-1-amine
CID 43130470

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine?
The IUPAC name of 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine (CID 174348955) is 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine?
The canonical SMILES for 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine is CCCCCCCC(CCCCCCC)N1CCCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine?
The InChIKey is HSTRJGJEUATPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42FN/c1-4-6-8-10-12-15-20(16-13-11-9-7-5-2)23-18-14-17-21(3,22)19-23/h20H,4-19H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine?
3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine has a molecular weight of 327.57 g/mol, XLogP of 6.90, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine is sourced from PubChem (CID 174348955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).