1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine

C22H32N4O — CID 128967418

IUPAC1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C22H32N4O/c1-2-26-21(10-12-24-26)22-19(11-14-27-22)15-23-20-9-6-13-25(17-20)16-18-7-4-3-5-8-18/h3-5,7-8,10,12,19-20,22-23H,2,6,9,11,13-17H2,1H3/t19-,20?,22+/m0/s1
InChIKeyXMBIUHKXCGUTTC-PWKISDLSSA-N
MW368.52 g/mol
LogP3.23
Rot. Bonds7

About 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine

1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine (PubChem CID 128967418) has the molecular formula C22H32N4O and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine
PubChem CID128967418
Molecular FormulaC22H32N4O
Molecular Weight368.52 g/mol
Exact Mass368.26
IUPAC Name1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C22H32N4O/c1-2-26-21(10-12-24-26)22-19(11-14-27-22)15-23-20-9-6-13-25(17-20)16-18-7-4-3-5-8-18/h3-5,7-8,10,12,19-20,22-23H,2,6,9,11,13-17H2,1H3/t19-,20?,22+/m0/s1
InChIKeyXMBIUHKXCGUTTC-PWKISDLSSA-N
XLogP3.23
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine with MolForge

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Related Compounds

N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 128976187
(3S)-1-benzyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-3-amine
CID 136811971
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 129005887
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
(3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine
CID 129331056
1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
CID 107417487
1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine
CID 128998209
N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 120581740
1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine
CID 66044031
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine?
The IUPAC name of 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine (CID 128967418) is 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine is CCn1nccc1[C@@H]1OCC[C@H]1CNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine?
The InChIKey is XMBIUHKXCGUTTC-PWKISDLSSA-N. The full InChI is InChI=1S/C22H32N4O/c1-2-26-21(10-12-24-26)22-19(11-14-27-22)15-23-20-9-6-13-25(17-20)16-18-7-4-3-5-8-18/h3-5,7-8,10,12,19-20,22-23H,2,6,9,11,13-17H2,1H3/t19-,20?,22+/m0/s1.
What are the key properties of 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine?
1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine has a molecular weight of 368.52 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 128967418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).