3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide

C88H188F3N15O7S2 — CID 159918701

IUPAC3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC(F)C1.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCCOCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1C.CC(C)N1CCN(S(C)(=O)=O)C[C@H]1C.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S.C9H20N2.C8H15F2N.C8H16FN.2C8H18N2.2C8H17NO.C8H17N.C7H15NO2S.C7H15NO/c1-8(2)11-6-5-10(7-9(11)3)14(4,12)13;1-8(2)11-6-5-10(4)7-9(11)3;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)10-5-3-4-8(9)6-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-3-4-9-5-7-10;1-7(2)9-4-5-10-6-8(9)3;1-8(2)9-4-3-6-10-7-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8/h8-9H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t9-;;;;;;;;;;/m1........../s1
InChIKeyNYCVRPDMMHBMGL-WVIXRZOOSA-N
MW1689.70 g/mol
LogP11.64
Rot. Bonds12

About 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide

3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 159918701) has the molecular formula C88H188F3N15O7S2 and a molecular weight of 1689.70 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
PubChem CID159918701
Molecular FormulaC88H188F3N15O7S2
Molecular Weight1689.70 g/mol
Exact Mass1688.42
IUPAC Name3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC(F)C1.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCCOCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1C.CC(C)N1CCN(S(C)(=O)=O)C[C@H]1C.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S.C9H20N2.C8H15F2N.C8H16FN.2C8H18N2.2C8H17NO.C8H17N.C7H15NO2S.C7H15NO/c1-8(2)11-6-5-10(7-9(11)3)14(4,12)13;1-8(2)11-6-5-10(4)7-9(11)3;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)10-5-3-4-8(9)6-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-3-4-9-5-7-10;1-7(2)9-4-5-10-6-8(9)3;1-8(2)9-4-3-6-10-7-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8/h8-9H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t9-;;;;;;;;;;/m1........../s1
InChIKeyNYCVRPDMMHBMGL-WVIXRZOOSA-N
XLogP11.64
TPSA153.36 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001689.70
LogP ≤ 511.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide (CID 159918701) is 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide is CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC(F)C1.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCCOCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1C.CC(C)N1CCN(S(C)(=O)=O)C[C@H]1C.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is NYCVRPDMMHBMGL-WVIXRZOOSA-N. The full InChI is InChI=1S/C9H20N2O2S.C9H20N2.C8H15F2N.C8H16FN.2C8H18N2.2C8H17NO.C8H17N.C7H15NO2S.C7H15NO/c1-8(2)11-6-5-10(7-9(11)3)14(4,12)13;1-8(2)11-6-5-10(4)7-9(11)3;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)10-5-3-4-8(9)6-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-3-4-9-5-7-10;1-7(2)9-4-5-10-6-8(9)3;1-8(2)9-4-3-6-10-7-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8/h8-9H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t9-;;;;;;;;;;/m1........../s1.
What are the key properties of 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 1689.70 g/mol, XLogP of 11.64, 12 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 159918701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).