2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol

C15H28N4O — CID 79715642

IUPAC2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCC(C)N(Cc1cnn(CCO)c1)CC1CCNCC1
InChIInChI=1S/C15H28N4O/c1-13(2)18(10-14-3-5-16-6-4-14)11-15-9-17-19(12-15)7-8-20/h9,12-14,16,20H,3-8,10-11H2,1-2H3
InChIKeyOGISGZSDHGVMSR-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.09
Rot. Bonds7

About 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol

2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 79715642) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol
PubChem CID79715642
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCC(C)N(Cc1cnn(CCO)c1)CC1CCNCC1
InChIInChI=1S/C15H28N4O/c1-13(2)18(10-14-3-5-16-6-4-14)11-15-9-17-19(12-15)7-8-20/h9,12-14,16,20H,3-8,10-11H2,1-2H3
InChIKeyOGISGZSDHGVMSR-UHFFFAOYSA-N
XLogP1.09
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol
CID 120858173
N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714314
N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 79714881
N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 79714663
N-[(3,4-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715630
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182
2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 107692120
2-[4-[[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrazol-1-yl]ethanol
CID 106606015
(3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol
CID 28732563
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole
CID 84768017

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol (CID 79715642) is 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol is CC(C)N(Cc1cnn(CCO)c1)CC1CCNCC1.
What is the InChIKey of 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is OGISGZSDHGVMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-13(2)18(10-14-3-5-16-6-4-14)11-15-9-17-19(12-15)7-8-20/h9,12-14,16,20H,3-8,10-11H2,1-2H3.
What are the key properties of 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 280.42 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 79715642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).