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

C21H30N4O — CID 129007166

IUPAC1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine
SMILESCn1cc([C@H]2OCCC[C@@H]2NC2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H30N4O/c1-24-16-18(14-22-24)21-20(8-5-13-26-21)23-19-9-11-25(12-10-19)15-17-6-3-2-4-7-17/h2-4,6-7,14,16,19-21,23H,5,8-13,15H2,1H3/t20-,21+/m0/s1
InChIKeyYWIVZOMHWOGAQC-LEWJYISDSA-N
MW354.50 g/mol
LogP2.89
Rot. Bonds5

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

1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine (PubChem CID 129007166) 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-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine
PubChem CID129007166
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-4-amine
SMILESCn1cc([C@H]2OCCC[C@@H]2NC2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H30N4O/c1-24-16-18(14-22-24)21-20(8-5-13-26-21)23-19-9-11-25(12-10-19)15-17-6-3-2-4-7-17/h2-4,6-7,14,16,19-21,23H,5,8-13,15H2,1H3/t20-,21+/m0/s1
InChIKeyYWIVZOMHWOGAQC-LEWJYISDSA-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

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Related Compounds

1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine
CID 128996135
(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
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 129007180
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
(3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine
CID 129488964
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]oxan-3-amine
CID 128968973
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 128887292
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450
(2R,3S)-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 128998850
6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid
CID 122055512
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine (CID 129007166) is 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine is Cn1cc([C@H]2OCCC[C@@H]2NC2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine?
The InChIKey is YWIVZOMHWOGAQC-LEWJYISDSA-N. The full InChI is InChI=1S/C21H30N4O/c1-24-16-18(14-22-24)21-20(8-5-13-26-21)23-19-9-11-25(12-10-19)15-17-6-3-2-4-7-17/h2-4,6-7,14,16,19-21,23H,5,8-13,15H2,1H3/t20-,21+/m0/s1.
What are the key properties of 1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-amine?
1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-4-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-4-amine is sourced from PubChem (CID 129007166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).