1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol

C121H252N16O20 — CID 161143262

IUPAC1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol
SMILESCC(C)C1CCN(CCN(C)C)C(=O)C1.CC(C)N1CCOC(CO)C1.CC(C)N1CCOCC1C.CC(C)N1CCOC[C@@H]1C.CC(C)N1CCOC[C@H]1C.CC(C)N1CCO[C@@H](C(C)(C)O)C1.CC(C)N1CCO[C@@H](CO)C1.CC(C)N1CCO[C@H](CO)C1.CC(C)[C@@H]1CCN(CCN(C)C)C(=O)C1.CC(C)[C@H]1CCN(CCN(C)C)C(=O)C1.COCC1CN(C(C)C)CCO1.COC[C@@H]1CN(C(C)C)CCO1.COC[C@H]1CN(C(C)C)CCO1
InChIInChI=1S/3C12H24N2O.C10H21NO2.3C9H19NO2.3C8H17NO2.3C8H17NO/c3*1-10(2)11-5-6-14(12(15)9-11)8-7-13(3)4;1-8(2)11-5-6-13-9(7-11)10(3,4)12;3*1-8(2)10-4-5-12-9(6-10)7-11-3;3*1-7(2)9-3-4-11-8(5-9)6-10;3*1-7(2)9-4-5-10-6-8(9)3/h3*10-11H,5-9H2,1-4H3;8-9,12H,5-7H2,1-4H3;3*8-9H,4-7H2,1-3H3;3*7-8,10H,3-6H2,1-2H3;3*7-8H,4-6H2,1-3H3/t2*11-;;3*9-;;2*8-;;2*8-;/m10.110.10.10./s1
InChIKeyUNSMGHLIWXBSHH-RKIXVIJASA-N
MW2251.44 g/mol
LogP11.03
Rot. Bonds32

About 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol

1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol (PubChem CID 161143262) has the molecular formula C121H252N16O20 and a molecular weight of 2251.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol
PubChem CID161143262
Molecular FormulaC121H252N16O20
Molecular Weight2251.44 g/mol
Exact Mass2249.92
IUPAC Name1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol
SMILESCC(C)C1CCN(CCN(C)C)C(=O)C1.CC(C)N1CCOC(CO)C1.CC(C)N1CCOCC1C.CC(C)N1CCOC[C@@H]1C.CC(C)N1CCOC[C@H]1C.CC(C)N1CCO[C@@H](C(C)(C)O)C1.CC(C)N1CCO[C@@H](CO)C1.CC(C)N1CCO[C@H](CO)C1.CC(C)[C@@H]1CCN(CCN(C)C)C(=O)C1.CC(C)[C@H]1CCN(CCN(C)C)C(=O)C1.COCC1CN(C(C)C)CCO1.COC[C@@H]1CN(C(C)C)CCO1.COC[C@H]1CN(C(C)C)CCO1
InChIInChI=1S/3C12H24N2O.C10H21NO2.3C9H19NO2.3C8H17NO2.3C8H17NO/c3*1-10(2)11-5-6-14(12(15)9-11)8-7-13(3)4;1-8(2)11-5-6-13-9(7-11)10(3,4)12;3*1-8(2)10-4-5-12-9(6-10)7-11-3;3*1-7(2)9-3-4-11-8(5-9)6-10;3*1-7(2)9-4-5-10-6-8(9)3/h3*10-11H,5-9H2,1-4H3;8-9,12H,5-7H2,1-4H3;3*8-9H,4-7H2,1-3H3;3*7-8,10H,3-6H2,1-2H3;3*7-8H,4-6H2,1-3H3/t2*11-;;3*9-;;2*8-;;2*8-;/m10.110.10.10./s1
InChIKeyUNSMGHLIWXBSHH-RKIXVIJASA-N
XLogP11.03
TPSA303.96 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002251.44
LogP ≤ 511.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol (CID 161143262) is 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol is CC(C)C1CCN(CCN(C)C)C(=O)C1.CC(C)N1CCOC(CO)C1.CC(C)N1CCOCC1C.CC(C)N1CCOC[C@@H]1C.CC(C)N1CCOC[C@H]1C.CC(C)N1CCO[C@@H](C(C)(C)O)C1.CC(C)N1CCO[C@@H](CO)C1.CC(C)N1CCO[C@H](CO)C1.CC(C)[C@@H]1CCN(CCN(C)C)C(=O)C1.CC(C)[C@H]1CCN(CCN(C)C)C(=O)C1.COCC1CN(C(C)C)CCO1.COC[C@@H]1CN(C(C)C)CCO1.COC[C@H]1CN(C(C)C)CCO1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol?
The InChIKey is UNSMGHLIWXBSHH-RKIXVIJASA-N. The full InChI is InChI=1S/3C12H24N2O.C10H21NO2.3C9H19NO2.3C8H17NO2.3C8H17NO/c3*1-10(2)11-5-6-14(12(15)9-11)8-7-13(3)4;1-8(2)11-5-6-13-9(7-11)10(3,4)12;3*1-8(2)10-4-5-12-9(6-10)7-11-3;3*1-7(2)9-3-4-11-8(5-9)6-10;3*1-7(2)9-4-5-10-6-8(9)3/h3*10-11H,5-9H2,1-4H3;8-9,12H,5-7H2,1-4H3;3*8-9H,4-7H2,1-3H3;3*7-8,10H,3-6H2,1-2H3;3*7-8H,4-6H2,1-3H3/t2*11-;;3*9-;;2*8-;;2*8-;/m10.110.10.10./s1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol?
1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol has a molecular weight of 2251.44 g/mol, XLogP of 11.03, 32 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4S)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(4R)-1-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidin-2-one;(2S)-2-(methoxymethyl)-4-propan-2-ylmorpholine;(2R)-2-(methoxymethyl)-4-propan-2-ylmorpholine;2-(methoxymethyl)-4-propan-2-ylmorpholine;(3S)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;2-[(2R)-4-propan-2-ylmorpholin-2-yl]propan-2-ol is sourced from PubChem (CID 161143262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).