1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride

C20H22ClNO — CID 171669346

IUPAC1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride
SMILESCl.OC1(C#Cc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21NO.ClH/c22-20(12-11-18-7-3-1-4-8-18)13-15-21(16-14-20)17-19-9-5-2-6-10-19;/h1-10,22H,13-17H2;1H
InChIKeyORUGFYRUKGGSEZ-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.49
Rot. Bonds2

About 1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride

1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride (PubChem CID 171669346) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride
PubChem CID171669346
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride
SMILESCl.OC1(C#Cc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21NO.ClH/c22-20(12-11-18-7-3-1-4-8-18)13-15-21(16-14-20)17-19-9-5-2-6-10-19;/h1-10,22H,13-17H2;1H
InChIKeyORUGFYRUKGGSEZ-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(2-phenylethynyl)piperidin-4-ol
CID 2729868
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-2,2-bis(2-phenylethynyl)pyrrolidine
CID 164666404
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride?
The IUPAC name of 1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride (CID 171669346) is 1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride is Cl.OC1(C#Cc2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride?
The InChIKey is ORUGFYRUKGGSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.ClH/c22-20(12-11-18-7-3-1-4-8-18)13-15-21(16-14-20)17-19-9-5-2-6-10-19;/h1-10,22H,13-17H2;1H.
What are the key properties of 1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride?
1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 171669346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).