1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride

C22H28ClNO — CID 159545866

IUPAC1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride
SMILESC=C(CN1CCCCC1)C(O)(Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H27NO.ClH/c1-19(18-23-15-9-4-10-16-23)22(24,21-13-7-3-8-14-21)17-20-11-5-2-6-12-20;/h2-3,5-8,11-14,24H,1,4,9-10,15-18H2;1H
InChIKeyMEUFKDJSKZVDDR-UHFFFAOYSA-N
MW357.93 g/mol
LogP4.58
Rot. Bonds6

About 1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride

1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride (PubChem CID 159545866) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is 1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride.

Molecular Properties

Compound Name1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride
PubChem CID159545866
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC Name1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride
SMILESC=C(CN1CCCCC1)C(O)(Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H27NO.ClH/c1-19(18-23-15-9-4-10-16-23)22(24,21-13-7-3-8-14-21)17-20-11-5-2-6-12-20;/h2-3,5-8,11-14,24H,1,4,9-10,15-18H2;1H
InChIKeyMEUFKDJSKZVDDR-UHFFFAOYSA-N
XLogP4.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-benzylprop-2-enyl)piperidine
CID 53360886
1-benzylazepane
CID 10954328
2-pyrrolidin-1-yl-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide
CID 21277904
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-[2-(1-phenylcyclopentyl)prop-2-enyl]piperidine
CID 130330382
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride
CID 11972143
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
1-benzylpyrrolidine;propane
CID 143692089
1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone
CID 54451511
1,1,3-triphenyl-2-piperidin-1-ylpropan-1-ol
CID 23250666

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride?
The IUPAC name of 1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride (CID 159545866) is 1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride.
What is the SMILES notation for 1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride?
The canonical SMILES for 1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride is C=C(CN1CCCCC1)C(O)(Cc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride?
The InChIKey is MEUFKDJSKZVDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO.ClH/c1-19(18-23-15-9-4-10-16-23)22(24,21-13-7-3-8-14-21)17-20-11-5-2-6-12-20;/h2-3,5-8,11-14,24H,1,4,9-10,15-18H2;1H.
What are the key properties of 1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride?
1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride is sourced from PubChem (CID 159545866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).