1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine

C21H35N — CID 86175375

IUPAC1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine
SMILESCCCCCCN1CCC(CCCc2ccc(C)cc2)CC1
InChIInChI=1S/C21H35N/c1-3-4-5-6-16-22-17-14-21(15-18-22)9-7-8-20-12-10-19(2)11-13-20/h10-13,21H,3-9,14-18H2,1-2H3
InChIKeyKEDXGUDWOBIZJT-UHFFFAOYSA-N
MW301.52 g/mol
LogP5.61
Rot. Bonds9

About 1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine

1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine (PubChem CID 86175375) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is 1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine.

Molecular Properties

Compound Name1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine
PubChem CID86175375
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine
SMILESCCCCCCN1CCC(CCCc2ccc(C)cc2)CC1
InChIInChI=1S/C21H35N/c1-3-4-5-6-16-22-17-14-21(15-18-22)9-7-8-20-12-10-19(2)11-13-20/h10-13,21H,3-9,14-18H2,1-2H3
InChIKeyKEDXGUDWOBIZJT-UHFFFAOYSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 55.61
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-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol
CID 45485499
4-butyl-1-octylpiperidine
CID 171570418
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
4-butyl-1-heptylpiperidine;formonitrile
CID 175849547
1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine
CID 72735441
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
1-methyl-4-octylbenzene
CID 11052746
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278
1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 161465847

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine?
The IUPAC name of 1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine (CID 86175375) is 1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine.
What is the SMILES notation for 1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine?
The canonical SMILES for 1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine is CCCCCCN1CCC(CCCc2ccc(C)cc2)CC1.
What is the InChIKey of 1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine?
The InChIKey is KEDXGUDWOBIZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N/c1-3-4-5-6-16-22-17-14-21(15-18-22)9-7-8-20-12-10-19(2)11-13-20/h10-13,21H,3-9,14-18H2,1-2H3.
What are the key properties of 1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine?
1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine has a molecular weight of 301.52 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine is sourced from PubChem (CID 86175375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).