4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride

C18H34Cl2N4O — CID 154919932

IUPAC4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride
SMILESCC[C@@H]1C[C@H](n2ccnc2C(C)(C)CN2CCOCC2)CCN1.Cl.Cl
InChIInChI=1S/C18H32N4O.2ClH/c1-4-15-13-16(5-6-19-15)22-8-7-20-17(22)18(2,3)14-21-9-11-23-12-10-21;;/h7-8,15-16,19H,4-6,9-14H2,1-3H3;2*1H/t15-,16-;;/m1../s1
InChIKeyKOINPEQSYNOROB-UWGSCQAASA-N
MW393.40 g/mol
LogP3.04
Rot. Bonds5

About 4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride

4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride (PubChem CID 154919932) has the molecular formula C18H34Cl2N4O and a molecular weight of 393.40 g/mol. Its IUPAC name is 4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride
PubChem CID154919932
Molecular FormulaC18H34Cl2N4O
Molecular Weight393.40 g/mol
Exact Mass392.21
IUPAC Name4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride
SMILESCC[C@@H]1C[C@H](n2ccnc2C(C)(C)CN2CCOCC2)CCN1.Cl.Cl
InChIInChI=1S/C18H32N4O.2ClH/c1-4-15-13-16(5-6-19-15)22-8-7-20-17(22)18(2,3)14-21-9-11-23-12-10-21;;/h7-8,15-16,19H,4-6,9-14H2,1-3H3;2*1H/t15-,16-;;/m1../s1
InChIKeyKOINPEQSYNOROB-UWGSCQAASA-N
XLogP3.04
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride?
The IUPAC name of 4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride (CID 154919932) is 4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride is CC[C@@H]1C[C@H](n2ccnc2C(C)(C)CN2CCOCC2)CCN1.Cl.Cl.
What is the InChIKey of 4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride?
The InChIKey is KOINPEQSYNOROB-UWGSCQAASA-N. The full InChI is InChI=1S/C18H32N4O.2ClH/c1-4-15-13-16(5-6-19-15)22-8-7-20-17(22)18(2,3)14-21-9-11-23-12-10-21;;/h7-8,15-16,19H,4-6,9-14H2,1-3H3;2*1H/t15-,16-;;/m1../s1.
What are the key properties of 4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride?
4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride has a molecular weight of 393.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride is sourced from PubChem (CID 154919932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).