(2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one

C31H51NO2 — CID 70408204

IUPAC(2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCCCC1CO
InChIInChI=1S/C31H51NO2/c1-25(2)13-9-14-26(3)15-10-16-27(4)17-11-18-28(5)19-12-20-29(6)23-31(34)32-22-8-7-21-30(32)24-33/h13,15,17,19,23,30,33H,7-12,14,16,18,20-22,24H2,1-6H3/b26-15+,27-17+,28-19+,29-23+
InChIKeyHBIPLNXKUVVTMY-MCXZJHSSSA-N
MW469.75 g/mol
LogP8.23
Rot. Bonds14

About (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one

(2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one (PubChem CID 70408204) has the molecular formula C31H51NO2 and a molecular weight of 469.75 g/mol. Its IUPAC name is (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one.

Molecular Properties

Compound Name(2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one
PubChem CID70408204
Molecular FormulaC31H51NO2
Molecular Weight469.75 g/mol
Exact Mass469.39
IUPAC Name(2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCCCC1CO
InChIInChI=1S/C31H51NO2/c1-25(2)13-9-14-26(3)15-10-16-27(4)17-11-18-28(5)19-12-20-29(6)23-31(34)32-22-8-7-21-30(32)24-33/h13,15,17,19,23,30,33H,7-12,14,16,18,20-22,24H2,1-6H3/b26-15+,27-17+,28-19+,29-23+
InChIKeyHBIPLNXKUVVTMY-MCXZJHSSSA-N
XLogP8.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.75
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,6E)-1-(2-hydroxypiperidin-1-yl)-3,7,11-trimethyldodeca-2,6,10-trien-1-one
CID 70403245
1-(2-chloro-4,4-dimethylpiperazin-4-ium-1-yl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one
CID 70401946
2-[1-(3-methylbut-2-enoyl)piperidin-2-yl]acetic acid
CID 61009139
(2E,6E,10E)-1-[3-(diethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one
CID 21297965
3-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one
CID 63249341
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 86251212
(Z)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 99698505
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]but-2-en-1-one
CID 79029166
(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
CID 11307844
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
3-[1-(3-methylbut-2-enyl)piperidin-2-yl]propanoic acid
CID 62218206
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one?
The IUPAC name of (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one (CID 70408204) is (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one.
What is the SMILES notation for (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one?
The canonical SMILES for (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCCCC1CO.
What is the InChIKey of (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one?
The InChIKey is HBIPLNXKUVVTMY-MCXZJHSSSA-N. The full InChI is InChI=1S/C31H51NO2/c1-25(2)13-9-14-26(3)15-10-16-27(4)17-11-18-28(5)19-12-20-29(6)23-31(34)32-22-8-7-21-30(32)24-33/h13,15,17,19,23,30,33H,7-12,14,16,18,20-22,24H2,1-6H3/b26-15+,27-17+,28-19+,29-23+.
What are the key properties of (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one?
(2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one has a molecular weight of 469.75 g/mol, XLogP of 8.23, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one is sourced from PubChem (CID 70408204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).