2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride

C24H32ClNO3 — CID 71587103

IUPAC2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride
SMILESCl.OCCOCCOCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31NO3.ClH/c26-16-18-28-20-19-27-17-15-25-13-11-23(12-14-25)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-10,26H,11-20H2;1H
InChIKeyPFVPKJFVMXJPGJ-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.03
Rot. Bonds10

About 2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride

2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride (PubChem CID 71587103) has the molecular formula C24H32ClNO3 and a molecular weight of 417.98 g/mol. Its IUPAC name is 2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride
PubChem CID71587103
Molecular FormulaC24H32ClNO3
Molecular Weight417.98 g/mol
Exact Mass417.21
IUPAC Name2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride
SMILESCl.OCCOCCOCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31NO3.ClH/c26-16-18-28-20-19-27-17-15-25-13-11-23(12-14-25)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-10,26H,11-20H2;1H
InChIKeyPFVPKJFVMXJPGJ-UHFFFAOYSA-N
XLogP4.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine
CID 139685650
2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid
CID 54424990
2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide
CID 54271471
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine
CID 46172910
2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol
CID 70481452
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol
CID 19937441
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
2-[2-(2-hydroxyethoxy)ethyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 82163493

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride?
The IUPAC name of 2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride (CID 71587103) is 2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride is Cl.OCCOCCOCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride?
The InChIKey is PFVPKJFVMXJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3.ClH/c26-16-18-28-20-19-27-17-15-25-13-11-23(12-14-25)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-10,26H,11-20H2;1H.
What are the key properties of 2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride?
2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride has a molecular weight of 417.98 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride is sourced from PubChem (CID 71587103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).