4-methyl-1-pentadecan-8-ylpiperidine

C21H43N — CID 129306753

IUPAC4-methyl-1-pentadecan-8-ylpiperidine
SMILESCCCCCCCC(CCCCCCC)N1CCC(C)CC1
InChIInChI=1S/C21H43N/c1-4-6-8-10-12-14-21(15-13-11-9-7-5-2)22-18-16-20(3)17-19-22/h20-21H,4-19H2,1-3H3
InChIKeyJMOBRGRELZXDTB-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.81
Rot. Bonds13

About 4-methyl-1-pentadecan-8-ylpiperidine

4-methyl-1-pentadecan-8-ylpiperidine (PubChem CID 129306753) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 4-methyl-1-pentadecan-8-ylpiperidine.

Molecular Properties

Compound Name4-methyl-1-pentadecan-8-ylpiperidine
PubChem CID129306753
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name4-methyl-1-pentadecan-8-ylpiperidine
SMILESCCCCCCCC(CCCCCCC)N1CCC(C)CC1
InChIInChI=1S/C21H43N/c1-4-6-8-10-12-14-21(15-13-11-9-7-5-2)22-18-16-20(3)17-19-22/h20-21H,4-19H2,1-3H3
InChIKeyJMOBRGRELZXDTB-UHFFFAOYSA-N
XLogP6.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
1-octadecan-4-ylaziridine
CID 87223215
(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
CID 166754113
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
4-pentadecan-8-ylthiomorpholine
CID 134320979
4-hexadecan-8-ylmorpholine
CID 126489366
1-decan-4-ylpiperidine
CID 142178259
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentadecan-8-ylpiperidine?
The IUPAC name of 4-methyl-1-pentadecan-8-ylpiperidine (CID 129306753) is 4-methyl-1-pentadecan-8-ylpiperidine.
What is the SMILES notation for 4-methyl-1-pentadecan-8-ylpiperidine?
The canonical SMILES for 4-methyl-1-pentadecan-8-ylpiperidine is CCCCCCCC(CCCCCCC)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-pentadecan-8-ylpiperidine?
The InChIKey is JMOBRGRELZXDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-4-6-8-10-12-14-21(15-13-11-9-7-5-2)22-18-16-20(3)17-19-22/h20-21H,4-19H2,1-3H3.
What are the key properties of 4-methyl-1-pentadecan-8-ylpiperidine?
4-methyl-1-pentadecan-8-ylpiperidine has a molecular weight of 309.58 g/mol, XLogP of 6.81, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentadecan-8-ylpiperidine is sourced from PubChem (CID 129306753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).