4-(8-methylpentadecan-8-yl)piperidine

C21H43N — CID 167069655

IUPAC4-(8-methylpentadecan-8-yl)piperidine
SMILESCCCCCCCC(C)(CCCCCCC)C1CCNCC1
InChIInChI=1S/C21H43N/c1-4-6-8-10-12-16-21(3,17-13-11-9-7-5-2)20-14-18-22-19-15-20/h20,22H,4-19H2,1-3H3
InChIKeyIGZXGYVSGMQIDR-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.71
Rot. Bonds13

About 4-(8-methylpentadecan-8-yl)piperidine

4-(8-methylpentadecan-8-yl)piperidine (PubChem CID 167069655) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 4-(8-methylpentadecan-8-yl)piperidine.

Molecular Properties

Compound Name4-(8-methylpentadecan-8-yl)piperidine
PubChem CID167069655
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name4-(8-methylpentadecan-8-yl)piperidine
SMILESCCCCCCCC(C)(CCCCCCC)C1CCNCC1
InChIInChI=1S/C21H43N/c1-4-6-8-10-12-16-21(3,17-13-11-9-7-5-2)20-14-18-22-19-15-20/h20,22H,4-19H2,1-3H3
InChIKeyIGZXGYVSGMQIDR-UHFFFAOYSA-N
XLogP6.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
3-(5-methyldodecan-5-yl)piperidine
CID 170226915
(1-chloro-2-methylundecan-2-yl)cyclopropane
CID 83150328
3-(2-methylheptan-2-yl)pyrrolidine
CID 139502538
(1-bromo-2-methylheptan-2-yl)cyclopropane
CID 83150476
4-methyl-3-(7-methyltetradecan-7-yl)piperidine
CID 154952997
4-hexadecylpiperidine
CID 54096875
3-(5-methyldodecan-5-yl)oxetane
CID 130337165
N-(2-methylnonan-2-yl)piperidin-4-amine
CID 167126912
N-(6-methyltridecan-6-yl)piperidin-4-amine
CID 175625026
4-heptylpiperidine;methane
CID 144690559
4-(4-butyl-3-ethyltridecan-3-yl)piperidine
CID 123229477

Frequently Asked Questions

What is the IUPAC name of 4-(8-methylpentadecan-8-yl)piperidine?
The IUPAC name of 4-(8-methylpentadecan-8-yl)piperidine (CID 167069655) is 4-(8-methylpentadecan-8-yl)piperidine.
What is the SMILES notation for 4-(8-methylpentadecan-8-yl)piperidine?
The canonical SMILES for 4-(8-methylpentadecan-8-yl)piperidine is CCCCCCCC(C)(CCCCCCC)C1CCNCC1.
What is the InChIKey of 4-(8-methylpentadecan-8-yl)piperidine?
The InChIKey is IGZXGYVSGMQIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-4-6-8-10-12-16-21(3,17-13-11-9-7-5-2)20-14-18-22-19-15-20/h20,22H,4-19H2,1-3H3.
What are the key properties of 4-(8-methylpentadecan-8-yl)piperidine?
4-(8-methylpentadecan-8-yl)piperidine has a molecular weight of 309.58 g/mol, XLogP of 6.71, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methylpentadecan-8-yl)piperidine is sourced from PubChem (CID 167069655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).