1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride

C28H57ClN2 — CID 45263278

IUPAC1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
SMILESCCCCCCCCCCCCCCCN1CCC(CCC2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C28H56N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30-25-20-28(21-26-30)17-16-27-18-23-29(2)24-19-27;/h27-28H,3-26H2,1-2H3;1H
InChIKeyZFZPNHUOXBIMAG-UHFFFAOYSA-N
MW457.23 g/mol
LogP8.33
Rot. Bonds17

About 1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride

1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride (PubChem CID 45263278) has the molecular formula C28H57ClN2 and a molecular weight of 457.23 g/mol. Its IUPAC name is 1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
PubChem CID45263278
Molecular FormulaC28H57ClN2
Molecular Weight457.23 g/mol
Exact Mass456.42
IUPAC Name1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
SMILESCCCCCCCCCCCCCCCN1CCC(CCC2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C28H56N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30-25-20-28(21-26-30)17-16-27-18-23-29(2)24-19-27;/h27-28H,3-26H2,1-2H3;1H
InChIKeyZFZPNHUOXBIMAG-UHFFFAOYSA-N
XLogP8.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.23
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4'-(Propane-1,3-diyl)bis(1-methylpiperidine)
CID 116563
2,2,6,6-Tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine
CID 46232835
1-Piperidinepropanenitrile, 4,4'-(1,3-propanediyl)bis-
CID 87465
(1R,4R,9aS)-1-ethyl-4-hexyl-octahydro-1H-quinolizine
CID 44442623
2,2,6,6-Tetramethyl-1-[10-(2,2,6,6-tetramethylpiperidin-1-yl)decyl]piperidine
CID 46232797
2,2,6,6-Tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine
CID 46232834
1-Methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride
CID 11539395
1-Methyl-1-pentadecyl-4-piperidin-4-ylpiperidin-1-ium chloride
CID 11568143
1-Methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride
CID 11583539
1-Pentadecyl-4-(2-piperidin-4-ylethyl)piperidine;dihydrochloride
CID 11605396
1-Methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;dihydrochloride
CID 11641730
1-Heptadecyl-4-(1-methylpiperidin-4-yl)piperidine;dihydrochloride
CID 11691716

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride?
The IUPAC name of 1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride (CID 45263278) is 1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride is CCCCCCCCCCCCCCCN1CCC(CCC2CCN(C)CC2)CC1.Cl.
What is the InChIKey of 1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride?
The InChIKey is ZFZPNHUOXBIMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30-25-20-28(21-26-30)17-16-27-18-23-29(2)24-19-27;/h27-28H,3-26H2,1-2H3;1H.
What are the key properties of 1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride?
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride has a molecular weight of 457.23 g/mol, XLogP of 8.33, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 45263278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).