4-methyl-3-(7-methyltetradecan-7-yl)piperidine

C21H43N — CID 154952997

IUPAC4-methyl-3-(7-methyltetradecan-7-yl)piperidine
SMILESCCCCCCCC(C)(CCCCCC)C1CNCCC1C
InChIInChI=1S/C21H43N/c1-5-7-9-11-13-16-21(4,15-12-10-8-6-2)20-18-22-17-14-19(20)3/h19-20,22H,5-18H2,1-4H3
InChIKeyMPAFAQDWOAXYTO-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.57
Rot. Bonds12

About 4-methyl-3-(7-methyltetradecan-7-yl)piperidine

4-methyl-3-(7-methyltetradecan-7-yl)piperidine (PubChem CID 154952997) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 4-methyl-3-(7-methyltetradecan-7-yl)piperidine.

Molecular Properties

Compound Name4-methyl-3-(7-methyltetradecan-7-yl)piperidine
PubChem CID154952997
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name4-methyl-3-(7-methyltetradecan-7-yl)piperidine
SMILESCCCCCCCC(C)(CCCCCC)C1CNCCC1C
InChIInChI=1S/C21H43N/c1-5-7-9-11-13-16-21(4,15-12-10-8-6-2)20-18-22-17-14-19(20)3/h19-20,22H,5-18H2,1-4H3
InChIKeyMPAFAQDWOAXYTO-UHFFFAOYSA-N
XLogP6.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.57
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

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3-(2-methylheptan-2-yl)pyrrolidine
CID 139502538
4-methyl-3-octoxypiperidine
CID 102954063
2-piperidin-3-yloctan-2-ol
CID 65146111
4-hexadecylpiperidine
CID 54096875
N-(2-methylnonan-2-yl)piperidin-4-amine
CID 167126912
N-(6-methyltridecan-6-yl)piperidin-4-amine
CID 175625026
(1-chloro-2-methylundecan-2-yl)cyclopropane
CID 83150328
N-(4-methylpiperidin-3-yl)nonanamide
CID 65449508
2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole
CID 175628097

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(7-methyltetradecan-7-yl)piperidine?
The IUPAC name of 4-methyl-3-(7-methyltetradecan-7-yl)piperidine (CID 154952997) is 4-methyl-3-(7-methyltetradecan-7-yl)piperidine.
What is the SMILES notation for 4-methyl-3-(7-methyltetradecan-7-yl)piperidine?
The canonical SMILES for 4-methyl-3-(7-methyltetradecan-7-yl)piperidine is CCCCCCCC(C)(CCCCCC)C1CNCCC1C.
What is the InChIKey of 4-methyl-3-(7-methyltetradecan-7-yl)piperidine?
The InChIKey is MPAFAQDWOAXYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-5-7-9-11-13-16-21(4,15-12-10-8-6-2)20-18-22-17-14-19(20)3/h19-20,22H,5-18H2,1-4H3.
What are the key properties of 4-methyl-3-(7-methyltetradecan-7-yl)piperidine?
4-methyl-3-(7-methyltetradecan-7-yl)piperidine has a molecular weight of 309.58 g/mol, XLogP of 6.57, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(7-methyltetradecan-7-yl)piperidine is sourced from PubChem (CID 154952997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).