12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol

C19H38N2O — CID 142764009

IUPAC12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol
SMILESCC(C)N1CCN(CCCCCCCCCCC=CO)CC1
InChIInChI=1S/C19H38N2O/c1-19(2)21-16-14-20(15-17-21)13-11-9-7-5-3-4-6-8-10-12-18-22/h12,18-19,22H,3-11,13-17H2,1-2H3
InChIKeyZLLJSWNBMJIBGR-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.59
Rot. Bonds12

About 12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol

12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol (PubChem CID 142764009) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol.

Molecular Properties

Compound Name12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol
PubChem CID142764009
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol
SMILESCC(C)N1CCN(CCCCCCCCCCC=CO)CC1
InChIInChI=1S/C19H38N2O/c1-19(2)21-16-14-20(15-17-21)13-11-9-7-5-3-4-6-8-10-12-18-22/h12,18-19,22H,3-11,13-17H2,1-2H3
InChIKeyZLLJSWNBMJIBGR-UHFFFAOYSA-N
XLogP4.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-Dodecyl-2-ethenylpiperidin-1-ium-1-yl)methanol
CID 57200194
3-(2-Prop-2-enylpiperidin-1-yl)prop-1-en-1-ol
CID 70599925
1-[1-[bis(1-hydroxyethyl)amino]propan-2-yl-[(Z)-octadec-9-enyl]amino]ethanol
CID 90044069
12-(Dibutylamino)dodec-1-en-1-ol
CID 142764001
12-(Dihexylamino)dodec-1-en-1-ol
CID 142764002
12-(4-Methylpiperazin-1-yl)dodec-1-en-1-ol
CID 142764003
12-[Di(propan-2-yl)amino]dodec-1-en-1-ol
CID 142764004
12-(Diethylamino)dodec-1-en-1-ol
CID 142764006
12-(4-Ethylpiperazin-1-yl)dodec-1-en-1-ol
CID 142764007
12-Piperidin-1-yldodec-1-en-1-ol
CID 142764008
2-(4-Hept-6-en-2-ylpiperazin-1-yl)ethanol
CID 109966375

Frequently Asked Questions

What is the IUPAC name of 12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol?
The IUPAC name of 12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol (CID 142764009) is 12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol.
What is the SMILES notation for 12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol?
The canonical SMILES for 12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol is CC(C)N1CCN(CCCCCCCCCCC=CO)CC1.
What is the InChIKey of 12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol?
The InChIKey is ZLLJSWNBMJIBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-19(2)21-16-14-20(15-17-21)13-11-9-7-5-3-4-6-8-10-12-18-22/h12,18-19,22H,3-11,13-17H2,1-2H3.
What are the key properties of 12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol?
12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol has a molecular weight of 310.53 g/mol, XLogP of 4.59, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-propan-2-ylpiperazin-1-yl)dodec-1-en-1-ol is sourced from PubChem (CID 142764009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).