3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine

C101H218F2N16O8 — CID 167591249

IUPAC3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine
SMILESCC(C)N(C)C1COC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCC1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@@H](O)C1.CC(C)N1CCC[C@H](O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1(C)C.CC(C)N1CCNCC1(C)C.CC(C)N1CCOCC1.CC(C)N1CCO[C@@H](C)C1.CC(C)OCCN(C)C
InChIInChI=1S/C10H22N2.C9H20N2.C8H18N2.5C8H17NO.C7H13F2N.2C7H15NO.C7H17NO.C6H13N/c1-9(2)12-7-6-11(5)8-10(12,3)4;1-8(2)11-6-5-10-7-9(11,3)4;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-3-8(10)4-6-9;3*1-7(2)9-5-3-4-8(10)6-9;1-6(2)10-4-3-7(8,9)5-10;1-6(2)8(3)7-4-9-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)9-6-5-8(3)4;1-6(2)7-4-3-5-7/h9H,6-8H2,1-5H3;8,10H,5-7H2,1-4H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4*7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6H,3-5H2,1-2H3/t;;;8-;;2*8-;;;;;;/m...0.10....../s1
InChIKeyILRFHJOPWLZBOW-JVWZEGLPSA-N
MW1822.95 g/mol
LogP12.92
Rot. Bonds17

About 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine

3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine (PubChem CID 167591249) has the molecular formula C101H218F2N16O8 and a molecular weight of 1822.95 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine
PubChem CID167591249
Molecular FormulaC101H218F2N16O8
Molecular Weight1822.95 g/mol
Exact Mass1821.71
IUPAC Name3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine
SMILESCC(C)N(C)C1COC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCC1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@@H](O)C1.CC(C)N1CCC[C@H](O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1(C)C.CC(C)N1CCNCC1(C)C.CC(C)N1CCOCC1.CC(C)N1CCO[C@@H](C)C1.CC(C)OCCN(C)C
InChIInChI=1S/C10H22N2.C9H20N2.C8H18N2.5C8H17NO.C7H13F2N.2C7H15NO.C7H17NO.C6H13N/c1-9(2)12-7-6-11(5)8-10(12,3)4;1-8(2)11-6-5-10-7-9(11,3)4;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-3-8(10)4-6-9;3*1-7(2)9-5-3-4-8(10)6-9;1-6(2)10-4-3-7(8,9)5-10;1-6(2)8(3)7-4-9-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)9-6-5-8(3)4;1-6(2)7-4-3-5-7/h9H,6-8H2,1-5H3;8,10H,5-7H2,1-4H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4*7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6H,3-5H2,1-2H3/t;;;8-;;2*8-;;;;;;/m...0.10....../s1
InChIKeyILRFHJOPWLZBOW-JVWZEGLPSA-N
XLogP12.92
TPSA178.47 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001822.95
LogP ≤ 512.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine?
The IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine (CID 167591249) is 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine is CC(C)N(C)C1COC1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCC1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@@H](O)C1.CC(C)N1CCC[C@H](O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1(C)C.CC(C)N1CCNCC1(C)C.CC(C)N1CCOCC1.CC(C)N1CCO[C@@H](C)C1.CC(C)OCCN(C)C.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine?
The InChIKey is ILRFHJOPWLZBOW-JVWZEGLPSA-N. The full InChI is InChI=1S/C10H22N2.C9H20N2.C8H18N2.5C8H17NO.C7H13F2N.2C7H15NO.C7H17NO.C6H13N/c1-9(2)12-7-6-11(5)8-10(12,3)4;1-8(2)11-6-5-10-7-9(11,3)4;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-3-8(10)4-6-9;3*1-7(2)9-5-3-4-8(10)6-9;1-6(2)10-4-3-7(8,9)5-10;1-6(2)8(3)7-4-9-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)9-6-5-8(3)4;1-6(2)7-4-3-5-7/h9H,6-8H2,1-5H3;8,10H,5-7H2,1-4H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4*7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6H,3-5H2,1-2H3/t;;;8-;;2*8-;;;;;;/m...0.10....../s1.
What are the key properties of 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine?
3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine has a molecular weight of 1822.95 g/mol, XLogP of 12.92, 17 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol;2,2,4-trimethyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 167591249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).