1,3-di(tridecyl)piperidine

C31H63N — CID 162511834

IUPAC1,3-di(tridecyl)piperidine
SMILESCCCCCCCCCCCCCC1CCCN(CCCCCCCCCCCCC)C1
InChIInChI=1S/C31H63N/c1-3-5-7-9-11-13-15-17-19-21-23-26-31-27-25-29-32(30-31)28-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3
InChIKeyUJWWDOHNSGYSKH-UHFFFAOYSA-N
MW449.85 g/mol
LogP10.71
Rot. Bonds24

About 1,3-di(tridecyl)piperidine

1,3-di(tridecyl)piperidine (PubChem CID 162511834) has the molecular formula C31H63N and a molecular weight of 449.85 g/mol. Its IUPAC name is 1,3-di(tridecyl)piperidine.

Molecular Properties

Compound Name1,3-di(tridecyl)piperidine
PubChem CID162511834
Molecular FormulaC31H63N
Molecular Weight449.85 g/mol
Exact Mass449.50
IUPAC Name1,3-di(tridecyl)piperidine
SMILESCCCCCCCCCCCCCC1CCCN(CCCCCCCCCCCCC)C1
InChIInChI=1S/C31H63N/c1-3-5-7-9-11-13-15-17-19-21-23-26-31-27-25-29-32(30-31)28-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3
InChIKeyUJWWDOHNSGYSKH-UHFFFAOYSA-N
XLogP10.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.85
LogP ≤ 510.71
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

3-butyl-1-dodecylpiperidine
CID 171569666
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
3-butyl-1-pentylpiperidine;formonitrile
CID 175874905
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
3-ethyl-1-heptylpiperidine
CID 171569576
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
3-butyl-1-hexylpyrrolidine
CID 171570679
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
3-(bromomethyl)-1-pentylpiperidine
CID 80679758
3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid
CID 175874954
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590

Frequently Asked Questions

What is the IUPAC name of 1,3-di(tridecyl)piperidine?
The IUPAC name of 1,3-di(tridecyl)piperidine (CID 162511834) is 1,3-di(tridecyl)piperidine.
What is the SMILES notation for 1,3-di(tridecyl)piperidine?
The canonical SMILES for 1,3-di(tridecyl)piperidine is CCCCCCCCCCCCCC1CCCN(CCCCCCCCCCCCC)C1.
What is the InChIKey of 1,3-di(tridecyl)piperidine?
The InChIKey is UJWWDOHNSGYSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63N/c1-3-5-7-9-11-13-15-17-19-21-23-26-31-27-25-29-32(30-31)28-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3.
What are the key properties of 1,3-di(tridecyl)piperidine?
1,3-di(tridecyl)piperidine has a molecular weight of 449.85 g/mol, XLogP of 10.71, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(tridecyl)piperidine is sourced from PubChem (CID 162511834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).