5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine

C179H363N29O16 — CID 167653749

IUPAC5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine
SMILESC.C.C.CC(C)C1CCN(C)C(=O)C1.CC(C)N1CC(CN2CCC2)CCC1=O.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCC(C2(O)CN(C)C2)C1.CC(C)N1CCCC(N2CCOCC2)C1.CC(C)N1CCC[C@@H](C2(O)CN(C)C2)C1.CC(C)N1CCC[C@@H](N2CCOCC2)C1.CC(C)N1CCC[C@H](C2(O)CN(C)C2)C1.CC(C)N1CCC[C@H](N2CCOCC2)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(C(C)(C)O)C1.CC(C)N1CCN(C)[C@@H](C(C)(C)O)C1.CC(C)N1CCN(C)[C@H](C(C)(C)O)C1.CC(C)N1C[C@H](CN2CCC2)CCC1=O.CC(C)[C@@H]1CCN(C)C(=O)C1.CC(C)[C@H]1CCN(C)C(=O)C1
InChIInChI=1S/3C12H24N2O.2C12H22N2O.4C12H24N2O.3C11H24N2O.3C9H17NO.C8H16N2O.3CH4/c3*1-10(2)14-6-4-5-11(7-14)12(15)8-13(3)9-12;2*1-10(2)14-9-11(4-5-12(14)15)8-13-6-3-7-13;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;3*1-11(2)14-5-3-4-12(10-14)13-6-8-15-9-7-13;3*1-9(2)13-7-6-12(5)10(8-13)11(3,4)14;3*1-7(2)8-4-5-10(3)9(11)6-8;1-7(2)10-5-4-9(3)8(11)6-10;;;/h3*10-11,15H,4-9H2,1-3H3;2*10-11H,3-9H2,1-2H3;4*11-12H,3-10H2,1-2H3;3*9-10,14H,6-8H2,1-5H3;3*7-8H,4-6H2,1-3H3;7H,4-6H2,1-3H3;3*1H4/t2*11-;;11-;;;2*12-;;2*10-;;2*8-;;;;;/m10.0..10.10.10...../s1
InChIKeyQYISSUKDAGVAFP-VYLUZFSMSA-N
MW3178.06 g/mol
LogP18.75
Rot. Bonds30

About 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine

5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine (PubChem CID 167653749) has the molecular formula C179H363N29O16 and a molecular weight of 3178.06 g/mol. Its IUPAC name is 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine.

Molecular Properties

Compound Name5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine
PubChem CID167653749
Molecular FormulaC179H363N29O16
Molecular Weight3178.06 g/mol
Exact Mass3175.85
IUPAC Name5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine
SMILESC.C.C.CC(C)C1CCN(C)C(=O)C1.CC(C)N1CC(CN2CCC2)CCC1=O.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCC(C2(O)CN(C)C2)C1.CC(C)N1CCCC(N2CCOCC2)C1.CC(C)N1CCC[C@@H](C2(O)CN(C)C2)C1.CC(C)N1CCC[C@@H](N2CCOCC2)C1.CC(C)N1CCC[C@H](C2(O)CN(C)C2)C1.CC(C)N1CCC[C@H](N2CCOCC2)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(C(C)(C)O)C1.CC(C)N1CCN(C)[C@@H](C(C)(C)O)C1.CC(C)N1CCN(C)[C@H](C(C)(C)O)C1.CC(C)N1C[C@H](CN2CCC2)CCC1=O.CC(C)[C@@H]1CCN(C)C(=O)C1.CC(C)[C@H]1CCN(C)C(=O)C1
InChIInChI=1S/3C12H24N2O.2C12H22N2O.4C12H24N2O.3C11H24N2O.3C9H17NO.C8H16N2O.3CH4/c3*1-10(2)14-6-4-5-11(7-14)12(15)8-13(3)9-12;2*1-10(2)14-9-11(4-5-12(14)15)8-13-6-3-7-13;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;3*1-11(2)14-5-3-4-12(10-14)13-6-8-15-9-7-13;3*1-9(2)13-7-6-12(5)10(8-13)11(3,4)14;3*1-7(2)8-4-5-10(3)9(11)6-8;1-7(2)10-5-4-9(3)8(11)6-10;;;/h3*10-11,15H,4-9H2,1-3H3;2*10-11H,3-9H2,1-2H3;4*11-12H,3-10H2,1-2H3;3*9-10,14H,6-8H2,1-5H3;3*7-8H,4-6H2,1-3H3;7H,4-6H2,1-3H3;3*1H4/t2*11-;;11-;;;2*12-;;2*10-;;2*8-;;;;;/m10.0..10.10.10...../s1
InChIKeyQYISSUKDAGVAFP-VYLUZFSMSA-N
XLogP18.75
TPSA354.68 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003178.06
LogP ≤ 518.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine?
The IUPAC name of 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine (CID 167653749) is 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine.
What is the SMILES notation for 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine?
The canonical SMILES for 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine is C.C.C.CC(C)C1CCN(C)C(=O)C1.CC(C)N1CC(CN2CCC2)CCC1=O.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCC(C2(O)CN(C)C2)C1.CC(C)N1CCCC(N2CCOCC2)C1.CC(C)N1CCC[C@@H](C2(O)CN(C)C2)C1.CC(C)N1CCC[C@@H](N2CCOCC2)C1.CC(C)N1CCC[C@H](C2(O)CN(C)C2)C1.CC(C)N1CCC[C@H](N2CCOCC2)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(C(C)(C)O)C1.CC(C)N1CCN(C)[C@@H](C(C)(C)O)C1.CC(C)N1CCN(C)[C@H](C(C)(C)O)C1.CC(C)N1C[C@H](CN2CCC2)CCC1=O.CC(C)[C@@H]1CCN(C)C(=O)C1.CC(C)[C@H]1CCN(C)C(=O)C1.
What is the InChIKey of 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine?
The InChIKey is QYISSUKDAGVAFP-VYLUZFSMSA-N. The full InChI is InChI=1S/3C12H24N2O.2C12H22N2O.4C12H24N2O.3C11H24N2O.3C9H17NO.C8H16N2O.3CH4/c3*1-10(2)14-6-4-5-11(7-14)12(15)8-13(3)9-12;2*1-10(2)14-9-11(4-5-12(14)15)8-13-6-3-7-13;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;3*1-11(2)14-5-3-4-12(10-14)13-6-8-15-9-7-13;3*1-9(2)13-7-6-12(5)10(8-13)11(3,4)14;3*1-7(2)8-4-5-10(3)9(11)6-8;1-7(2)10-5-4-9(3)8(11)6-10;;;/h3*10-11,15H,4-9H2,1-3H3;2*10-11H,3-9H2,1-2H3;4*11-12H,3-10H2,1-2H3;3*9-10,14H,6-8H2,1-5H3;3*7-8H,4-6H2,1-3H3;7H,4-6H2,1-3H3;3*1H4/t2*11-;;11-;;;2*12-;;2*10-;;2*8-;;;;;/m10.0..10.10.10...../s1.
What are the key properties of 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine?
5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine has a molecular weight of 3178.06 g/mol, XLogP of 18.75, 30 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine is sourced from PubChem (CID 167653749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).