2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C22H34N4O — CID 131920847

IUPAC2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CN(C)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H34N4O/c1-18-22(19(2)26(23-18)13-14-27)17-24(3)15-21-9-11-25(12-10-21)16-20-7-5-4-6-8-20/h4-8,21,27H,9-17H2,1-3H3
InChIKeyCBACILFRGAQQBL-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.84
Rot. Bonds8

About 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 131920847) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID131920847
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CN(C)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H34N4O/c1-18-22(19(2)26(23-18)13-14-27)17-24(3)15-21-9-11-25(12-10-21)16-20-7-5-4-6-8-20/h4-8,21,27H,9-17H2,1-3H3
InChIKeyCBACILFRGAQQBL-UHFFFAOYSA-N
XLogP2.84
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
2-[3,5-dimethyl-4-[(4-phenylazepan-1-yl)methyl]pyrazol-1-yl]ethanol
CID 77090345
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408
4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 56906132
(3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol
CID 50976193
2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 134697080
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554129
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol
CID 83980394
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
2-[4-[[(1-benzyl-3-phenylpyrazol-4-yl)methyl-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 155945995

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 131920847) is 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CN(C)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is CBACILFRGAQQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-18-22(19(2)26(23-18)13-14-27)17-24(3)15-21-9-11-25(12-10-21)16-20-7-5-4-6-8-20/h4-8,21,27H,9-17H2,1-3H3.
What are the key properties of 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 370.54 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 131920847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).