1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one

C27H54N2O — CID 21298064

IUPAC1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C27H54N2O/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)20-27(30)29-19-11-18-26(21-29)28(6)7/h22-26H,8-21H2,1-7H3
InChIKeyHMVGVPVDHWAGGN-UHFFFAOYSA-N
MW422.74 g/mol
LogP7.00
Rot. Bonds15

About 1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one

1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one (PubChem CID 21298064) has the molecular formula C27H54N2O and a molecular weight of 422.74 g/mol. Its IUPAC name is 1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one
PubChem CID21298064
Molecular FormulaC27H54N2O
Molecular Weight422.74 g/mol
Exact Mass422.42
IUPAC Name1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C27H54N2O/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)20-27(30)29-19-11-18-26(21-29)28(6)7/h22-26H,8-21H2,1-7H3
InChIKeyHMVGVPVDHWAGGN-UHFFFAOYSA-N
XLogP7.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadec-2-en-1-one
CID 54085113
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
1-[3-(dimethylamino)azetidin-1-yl]-3-methylbutan-1-one
CID 134459250
1-[3-(dimethylamino)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79280252
cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119397824
4-[[(Z)-2-aminoethenyl]-(2,2-difluoroethyl)amino]-1-[(3S)-3-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 162597151
5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 82013959
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119396913
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one?
The IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one (CID 21298064) is 1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one.
What is the SMILES notation for 1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one?
The canonical SMILES for 1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one?
The InChIKey is HMVGVPVDHWAGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2O/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)20-27(30)29-19-11-18-26(21-29)28(6)7/h22-26H,8-21H2,1-7H3.
What are the key properties of 1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one?
1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one has a molecular weight of 422.74 g/mol, XLogP of 7.00, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one is sourced from PubChem (CID 21298064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).