3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol

C21H23NO — CID 13266406

IUPAC3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol
SMILESCN1CCC(C#CC(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H23NO/c1-22-16-13-18(14-17-22)12-15-21(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,23H,13-14,16-17H2,1H3
InChIKeyMBKPZXKCWLKVFC-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.27
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol

3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol (PubChem CID 13266406) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol
PubChem CID13266406
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol
SMILESCN1CCC(C#CC(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H23NO/c1-22-16-13-18(14-17-22)12-15-21(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,23H,13-14,16-17H2,1H3
InChIKeyMBKPZXKCWLKVFC-UHFFFAOYSA-N
XLogP3.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.27
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

3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol
CID 135071972
3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol
CID 3790624
1,1-diphenylbut-2-yn-1-ol
CID 569279
2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride
CID 54609205
3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1,1-diphenylprop-2-yn-1-ol
CID 10291366
1,1-diphenylpent-2-yn-1-ol
CID 155311786
bis(N,N-dimethylformamide);1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol
CID 139195473
4-(2-methylpyrrolidin-1-ium-1-yl)-1,1-diphenylbut-2-yn-1-ol
CID 4034233
(1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol
CID 92573539
(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol
CID 24781288
benzoic acid;1,4-dimethylpiperazine
CID 166460840
5,5-dimethyl-1,1-diphenylhex-2-yne-1,4-diol
CID 71489134

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol (CID 13266406) is 3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol is CN1CCC(C#CC(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol?
The InChIKey is MBKPZXKCWLKVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-22-16-13-18(14-17-22)12-15-21(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,23H,13-14,16-17H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol?
3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol has a molecular weight of 305.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol is sourced from PubChem (CID 13266406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).