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

C26H51ClN2O — CID 11546730

IUPAC1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCCCC(=O)N1CCC(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C26H50N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26(29)28-22-18-25(19-23-28)24-16-20-27(2)21-17-24;/h24-25H,3-23H2,1-2H3;1H
InChIKeyGTBLTTHFMZWDKS-UHFFFAOYSA-N
MW443.16 g/mol
LogP7.08
Rot. Bonds14

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

1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride (PubChem CID 11546730) has the molecular formula C26H51ClN2O and a molecular weight of 443.16 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride
PubChem CID11546730
Molecular FormulaC26H51ClN2O
Molecular Weight443.16 g/mol
Exact Mass442.37
IUPAC Name1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCCCC(=O)N1CCC(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C26H50N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26(29)28-22-18-25(19-23-28)24-16-20-27(2)21-17-24;/h24-25H,3-23H2,1-2H3;1H
InChIKeyGTBLTTHFMZWDKS-UHFFFAOYSA-N
XLogP7.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.16
LogP ≤ 57.08
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-[2-(1-Methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11576426
1-[4-(2-Piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11612247
Cyclohexane-1,2-dicarboxylic acid dipiperidide
CID 265198
Piperidine, 3-methyl-1-((2-methylcyclohexyl)carbonyl)-
CID 3049059
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride (CID 11546730) is 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride is CCCCCCCCCCCCCCC(=O)N1CCC(C2CCN(C)CC2)CC1.Cl.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride?
The InChIKey is GTBLTTHFMZWDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26(29)28-22-18-25(19-23-28)24-16-20-27(2)21-17-24;/h24-25H,3-23H2,1-2H3;1H.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride?
1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride has a molecular weight of 443.16 g/mol, XLogP of 7.08, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride is sourced from PubChem (CID 11546730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).