3,3-dimethyl-1-pentadecan-8-ylpiperidine

C22H45N — CID 139447357

IUPAC3,3-dimethyl-1-pentadecan-8-ylpiperidine
SMILESCCCCCCCC(CCCCCCC)N1CCCC(C)(C)C1
InChIInChI=1S/C22H45N/c1-5-7-9-11-13-16-21(17-14-12-10-8-6-2)23-19-15-18-22(3,4)20-23/h21H,5-20H2,1-4H3
InChIKeyAZMCWWWDLRRZKI-UHFFFAOYSA-N
MW323.61 g/mol
LogP7.20
Rot. Bonds13

About 3,3-dimethyl-1-pentadecan-8-ylpiperidine

3,3-dimethyl-1-pentadecan-8-ylpiperidine (PubChem CID 139447357) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is 3,3-dimethyl-1-pentadecan-8-ylpiperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-pentadecan-8-ylpiperidine
PubChem CID139447357
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC Name3,3-dimethyl-1-pentadecan-8-ylpiperidine
SMILESCCCCCCCC(CCCCCCC)N1CCCC(C)(C)C1
InChIInChI=1S/C22H45N/c1-5-7-9-11-13-16-21(17-14-12-10-8-6-2)23-19-15-18-22(3,4)20-23/h21H,5-20H2,1-4H3
InChIKeyAZMCWWWDLRRZKI-UHFFFAOYSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.20
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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-pentadecan-8-ylpiperidine?
The IUPAC name of 3,3-dimethyl-1-pentadecan-8-ylpiperidine (CID 139447357) is 3,3-dimethyl-1-pentadecan-8-ylpiperidine.
What is the SMILES notation for 3,3-dimethyl-1-pentadecan-8-ylpiperidine?
The canonical SMILES for 3,3-dimethyl-1-pentadecan-8-ylpiperidine is CCCCCCCC(CCCCCCC)N1CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-pentadecan-8-ylpiperidine?
The InChIKey is AZMCWWWDLRRZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N/c1-5-7-9-11-13-16-21(17-14-12-10-8-6-2)23-19-15-18-22(3,4)20-23/h21H,5-20H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-pentadecan-8-ylpiperidine?
3,3-dimethyl-1-pentadecan-8-ylpiperidine has a molecular weight of 323.61 g/mol, XLogP of 7.20, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-pentadecan-8-ylpiperidine is sourced from PubChem (CID 139447357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).