1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine

C21H30N4O — CID 128996135

IUPAC1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine
SMILESCn1cc([C@H]2OCCC[C@@H]2NC2CCCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C21H30N4O/c1-24-15-18(13-22-24)21-20(10-6-12-26-21)23-19-9-5-11-25(16-19)14-17-7-3-2-4-8-17/h2-4,7-8,13,15,19-21,23H,5-6,9-12,14,16H2,1H3/t19?,20-,21+/m0/s1
InChIKeyCUWIRZBVVWWXCV-GJGLBJJNSA-N
MW354.50 g/mol
LogP2.89
Rot. Bonds5

About 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine

1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine (PubChem CID 128996135) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine
PubChem CID128996135
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine
SMILESCn1cc([C@H]2OCCC[C@@H]2NC2CCCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C21H30N4O/c1-24-15-18(13-22-24)21-20(10-6-12-26-21)23-19-9-5-11-25(16-19)14-17-7-3-2-4-8-17/h2-4,7-8,13,15,19-21,23H,5-6,9-12,14,16H2,1H3/t19?,20-,21+/m0/s1
InChIKeyCUWIRZBVVWWXCV-GJGLBJJNSA-N
XLogP2.89
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine 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

1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine
CID 129007166
(3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine
CID 129488964
1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine
CID 128998209
(2S,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine
CID 129338401
(2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine
CID 129338399
1-benzyl-N-(3-methylcyclopentyl)piperidin-3-amine
CID 64592184
1-benzyl-N-(oxolan-3-yl)piperidin-3-amine
CID 64590674
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]oxan-3-amine
CID 128968973
N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
CID 65070074
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 129007180
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 128887292

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine?
The IUPAC name of 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine (CID 128996135) is 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine is Cn1cc([C@H]2OCCC[C@@H]2NC2CCCN(Cc3ccccc3)C2)cn1.
What is the InChIKey of 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine?
The InChIKey is CUWIRZBVVWWXCV-GJGLBJJNSA-N. The full InChI is InChI=1S/C21H30N4O/c1-24-15-18(13-22-24)21-20(10-6-12-26-21)23-19-9-5-11-25(16-19)14-17-7-3-2-4-8-17/h2-4,7-8,13,15,19-21,23H,5-6,9-12,14,16H2,1H3/t19?,20-,21+/m0/s1.
What are the key properties of 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine?
1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine has a molecular weight of 354.50 g/mol, XLogP of 2.89, 5 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-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine is sourced from PubChem (CID 128996135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).