2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol

C19H31NO — CID 67934045

IUPAC2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol
SMILESC=CCC1(CC=C)CC(CCO)CC(CC=C)(CC=C)N1
InChIInChI=1S/C19H31NO/c1-5-10-18(11-6-2)15-17(9-14-21)16-19(20-18,12-7-3)13-8-4/h5-8,17,20-21H,1-4,9-16H2
InChIKeyCSZLXMPZSYEGBX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.15
Rot. Bonds10

About 2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol

2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol (PubChem CID 67934045) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol
PubChem CID67934045
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol
SMILESC=CCC1(CC=C)CC(CCO)CC(CC=C)(CC=C)N1
InChIInChI=1S/C19H31NO/c1-5-10-18(11-6-2)15-17(9-14-21)16-19(20-18,12-7-3)13-8-4/h5-8,17,20-21H,1-4,9-16H2
InChIKeyCSZLXMPZSYEGBX-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,6-Tetrakis(prop-2-enyl)piperidin-4-ol
CID 67332700
5-[(8-Hydroxy-4-prop-2-enyloct-1-en-4-yl)amino]-5-prop-2-enyloct-7-en-1-ol
CID 87691381
2-[(2S,4R)-2-prop-2-enylpiperidin-4-yl]ethanol
CID 101092770
2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol
CID 101092777

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol (CID 67934045) is 2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol is C=CCC1(CC=C)CC(CCO)CC(CC=C)(CC=C)N1.
What is the InChIKey of 2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol?
The InChIKey is CSZLXMPZSYEGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-10-18(11-6-2)15-17(9-14-21)16-19(20-18,12-7-3)13-8-4/h5-8,17,20-21H,1-4,9-16H2.
What are the key properties of 2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol?
2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol has a molecular weight of 289.46 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,6,6-tetrakis(prop-2-enyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 67934045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).