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

C14H26N4O — CID 120858173

IUPAC2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol
SMILESCCn1cc(CN(CCO)CC2CCNCC2)cn1
InChIInChI=1S/C14H26N4O/c1-2-18-12-14(9-16-18)11-17(7-8-19)10-13-3-5-15-6-4-13/h9,12-13,15,19H,2-8,10-11H2,1H3
InChIKeyCWSXHYDVHOFLRP-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.70
Rot. Bonds7

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

2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol (PubChem CID 120858173) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol
PubChem CID120858173
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol
SMILESCCn1cc(CN(CCO)CC2CCNCC2)cn1
InChIInChI=1S/C14H26N4O/c1-2-18-12-14(9-16-18)11-17(7-8-19)10-13-3-5-15-6-4-13/h9,12-13,15,19H,2-8,10-11H2,1H3
InChIKeyCWSXHYDVHOFLRP-UHFFFAOYSA-N
XLogP0.70
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714314
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 79715642
2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]ethanol
CID 62128079
2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol
CID 62128242
1,4-diethylpyrazole;ethane
CID 143641951
2-[4-[[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrazol-1-yl]ethanol
CID 106606015
N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 114556405
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
CID 120849278
1-methyl-5-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632449
2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile
CID 55211862

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol (CID 120858173) is 2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol is CCn1cc(CN(CCO)CC2CCNCC2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol?
The InChIKey is CWSXHYDVHOFLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-2-18-12-14(9-16-18)11-17(7-8-19)10-13-3-5-15-6-4-13/h9,12-13,15,19H,2-8,10-11H2,1H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol?
2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol has a molecular weight of 266.39 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 120858173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).