1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride

C28H55ClN2O — CID 11576426

IUPAC1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCCCC(=O)N1CCC(CCC2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C28H54N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-28(31)30-24-20-27(21-25-30)17-16-26-18-22-29(2)23-19-26;/h26-27H,3-25H2,1-2H3;1H
InChIKeyQLNDCGXDJANULA-UHFFFAOYSA-N
MW471.21 g/mol
LogP7.86
Rot. Bonds16

About 1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride

1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride (PubChem CID 11576426) has the molecular formula C28H55ClN2O and a molecular weight of 471.21 g/mol. Its IUPAC name is 1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride
PubChem CID11576426
Molecular FormulaC28H55ClN2O
Molecular Weight471.21 g/mol
Exact Mass470.40
IUPAC Name1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCCCC(=O)N1CCC(CCC2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C28H54N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-28(31)30-24-20-27(21-25-30)17-16-26-18-22-29(2)23-19-26;/h26-27H,3-25H2,1-2H3;1H
InChIKeyQLNDCGXDJANULA-UHFFFAOYSA-N
XLogP7.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.21
LogP ≤ 57.86
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-(Piperidine-1-carbonyl)cyclohexyl]-piperidin-1-ylmethanone
CID 2238182
1-(4-Piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride
CID 11532034
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11546730
1-[4-(2-Piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11612247
1-[4-[3-(1-Acetyl-piperidin-4-yl)-propyl]-piperidin-1-yl]-ethanone
CID 20752246
3-Cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 806400
3-Cyclohexyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 4432326
1-(4-Piperidin-4-ylpiperidin-1-yl)heptadecan-1-one;hydrochloride
CID 11532641
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]heptadecan-1-one;hydrochloride
CID 11648484
1-(4-Piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
CID 11661301
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]tridecan-1-one;hydrochloride
CID 11704360
2-Cyclohexyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 36054272

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride?
The IUPAC name of 1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride (CID 11576426) is 1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride is CCCCCCCCCCCCCCC(=O)N1CCC(CCC2CCN(C)CC2)CC1.Cl.
What is the InChIKey of 1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride?
The InChIKey is QLNDCGXDJANULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-28(31)30-24-20-27(21-25-30)17-16-26-18-22-29(2)23-19-26;/h26-27H,3-25H2,1-2H3;1H.
What are the key properties of 1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride?
1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride has a molecular weight of 471.21 g/mol, XLogP of 7.86, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride is sourced from PubChem (CID 11576426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).