potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride

C44H61ClKN4O4- — CID 159763810

IUPACpotassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride
SMILESC.CC(C)(C)[O-].CCc1ccc(CO)cc1.O=Cc1ccc(N2CCCCC2)cn1.OCc1ccc(C=Cc2ccc(N3CCCCC3)cn2)cc1.[Cl-].[K+]
InChIInChI=1S/C19H22N2O.C11H14N2O.C9H12O.C4H9O.CH4.ClH.K/c22-15-17-6-4-16(5-7-17)8-9-18-10-11-19(14-20-18)21-12-2-1-3-13-21;14-9-10-4-5-11(8-12-10)13-6-2-1-3-7-13;1-2-8-3-5-9(7-10)6-4-8;1-4(2,3)5;;;/h4-11,14,22H,1-3,12-13,15H2;4-5,8-9H,1-3,6-7H2;3-6,10H,2,7H2,1H3;1-3H3;1H4;1H;/q;;;-1;;;+1/p-1
InChIKeyUGDYAIOFSMIYFC-UHFFFAOYSA-M
MW784.55 g/mol
LogP2.15
Rot. Bonds8

About potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride

potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride (PubChem CID 159763810) has the molecular formula C44H61ClKN4O4- and a molecular weight of 784.55 g/mol. Its IUPAC name is potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride.

Molecular Properties

Compound Namepotassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride
PubChem CID159763810
Molecular FormulaC44H61ClKN4O4-
Molecular Weight784.55 g/mol
Exact Mass783.40
IUPAC Namepotassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride
SMILESC.CC(C)(C)[O-].CCc1ccc(CO)cc1.O=Cc1ccc(N2CCCCC2)cn1.OCc1ccc(C=Cc2ccc(N3CCCCC3)cn2)cc1.[Cl-].[K+]
InChIInChI=1S/C19H22N2O.C11H14N2O.C9H12O.C4H9O.CH4.ClH.K/c22-15-17-6-4-16(5-7-17)8-9-18-10-11-19(14-20-18)21-12-2-1-3-13-21;14-9-10-4-5-11(8-12-10)13-6-2-1-3-7-13;1-2-8-3-5-9(7-10)6-4-8;1-4(2,3)5;;;/h4-11,14,22H,1-3,12-13,15H2;4-5,8-9H,1-3,6-7H2;3-6,10H,2,7H2,1H3;1-3H3;1H4;1H;/q;;;-1;;;+1/p-1
InChIKeyUGDYAIOFSMIYFC-UHFFFAOYSA-M
XLogP2.15
TPSA112.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500784.55
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride with MolForge

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Related Compounds

tert-butyl 4-[6-[(E)-2-[4-(2-hydroxyethyl)phenyl]ethenyl]-3-pyridinyl]piperazine-1-carboxylate
CID 67266646
2-[(E)-3,3-dimethylbut-1-enyl]-5-pyrrolidin-1-ylpyridine
CID 166496656
2-[(E)-3-methylbut-1-enyl]-5-pyrrolidin-1-ylpyridine
CID 155772719
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde
CID 165453204
ethane;2-ethyl-5-piperidin-1-ylpyridine
CID 144862663
4,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyrimidine
CID 71457448
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
[4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol
CID 132598079
(Z)-2-(4-ethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 83953378
3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
CID 169454389
(4-ethylphenyl)methanol;formamide
CID 142287021

Frequently Asked Questions

What is the IUPAC name of potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride?
The IUPAC name of potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride (CID 159763810) is potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride.
What is the SMILES notation for potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride?
The canonical SMILES for potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride is C.CC(C)(C)[O-].CCc1ccc(CO)cc1.O=Cc1ccc(N2CCCCC2)cn1.OCc1ccc(C=Cc2ccc(N3CCCCC3)cn2)cc1.[Cl-].[K+].
What is the InChIKey of potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride?
The InChIKey is UGDYAIOFSMIYFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H22N2O.C11H14N2O.C9H12O.C4H9O.CH4.ClH.K/c22-15-17-6-4-16(5-7-17)8-9-18-10-11-19(14-20-18)21-12-2-1-3-13-21;14-9-10-4-5-11(8-12-10)13-6-2-1-3-7-13;1-2-8-3-5-9(7-10)6-4-8;1-4(2,3)5;;;/h4-11,14,22H,1-3,12-13,15H2;4-5,8-9H,1-3,6-7H2;3-6,10H,2,7H2,1H3;1-3H3;1H4;1H;/q;;;-1;;;+1/p-1.
What are the key properties of potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride?
potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride has a molecular weight of 784.55 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(4-ethylphenyl)methanol;methane;2-methylpropan-2-olate;5-piperidin-1-ylpyridine-2-carbaldehyde;[4-[2-(5-piperidin-1-yl-2-pyridinyl)ethenyl]phenyl]methanol;chloride is sourced from PubChem (CID 159763810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).