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

C22H32N4O — CID 128998209

IUPAC1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C22H32N4O/c1-2-26-14-12-23-22(26)21-20(11-7-15-27-21)24-19-10-6-13-25(17-19)16-18-8-4-3-5-9-18/h3-5,8-9,12,14,19-21,24H,2,6-7,10-11,13,15-17H2,1H3/t19?,20-,21-/m0/s1
InChIKeyIJDKIOFNEXHNPV-AKQSQHNNSA-N
MW368.52 g/mol
LogP3.38
Rot. Bonds6

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

1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine (PubChem CID 128998209) has the molecular formula C22H32N4O and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine
PubChem CID128998209
Molecular FormulaC22H32N4O
Molecular Weight368.52 g/mol
Exact Mass368.26
IUPAC Name1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C22H32N4O/c1-2-26-14-12-23-22(26)21-20(11-7-15-27-21)24-19-10-6-13-25(17-19)16-18-8-4-3-5-9-18/h3-5,8-9,12,14,19-21,24H,2,6-7,10-11,13,15-17H2,1H3/t19?,20-,21-/m0/s1
InChIKeyIJDKIOFNEXHNPV-AKQSQHNNSA-N
XLogP3.38
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine
CID 129488964
1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine
CID 128996135
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]oxan-3-amine
CID 129400637
2-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
CID 128993386
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine
CID 124620783
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine
CID 128966063
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 129400622
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 136581065
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
CID 128993767
4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
CID 136588223
2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97279082

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine?
The IUPAC name of 1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine (CID 128998209) is 1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine is CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine?
The InChIKey is IJDKIOFNEXHNPV-AKQSQHNNSA-N. The full InChI is InChI=1S/C22H32N4O/c1-2-26-14-12-23-22(26)21-20(11-7-15-27-21)24-19-10-6-13-25(17-19)16-18-8-4-3-5-9-18/h3-5,8-9,12,14,19-21,24H,2,6-7,10-11,13,15-17H2,1H3/t19?,20-,21-/m0/s1.
What are the key properties of 1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine?
1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine has a molecular weight of 368.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine is sourced from PubChem (CID 128998209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).