1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane

C78H170FN13O2 — CID 157406484

About 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane

1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane (PubChem CID 157406484) has the molecular formula C78H170FN13O2 and a molecular weight of 1341.30 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane.

Molecular Properties

• Compound Name: 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane
• PubChem CID: 157406484
• Molecular Formula: C78H170FN13O2
• Molecular Weight: 1341.30 g/mol
• Exact Mass: 1340.36
• IUPAC Name: 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane
• SMILES: C.CC(C)N1CCCOCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CC[C@@H](N(C)C)[C@@H](F)C1.CC(C)N1C[C@@H](C)N[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CN(C)C1CCN(C(C)(C)C)CC1.CN(C)[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1
• InChI: InChI=1S/2C11H24N2.C10H21FN2.C10H22N2.C9H20N2.C9H19NO.C9H19N.C8H17NO.CH4/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8(2)13-6-5-10(12(3)4)9(11)7-13;1-10(2,3)12-7-6-9(8-12)11(4)5;1-7(2)11-5-8(3)10-9(4)6-11;1-7(2)10-5-8(3)11-9(4)6-10;1-8-5-6-10(7-8)9(2,3)4;1-8(2)9-4-3-6-10-7-5-9;/h2*10H,6-9H2,1-5H3;8-10H,5-7H2,1-4H3;9H,6-8H2,1-5H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3;1H4/t;;9-,10+;9-;2*8-,9+;8-;;/m..00..1../s1
• InChIKey: BNTUATQZMYRJNK-RTMCVIBRSA-N
• XLogP: 12.87
• TPSA: 69.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1341.30
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane?

The IUPAC name of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane (CID 157406484) is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane.

What is the SMILES notation for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane?

The canonical SMILES for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane is C.CC(C)N1CCCOCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CC[C@@H](N(C)C)[C@@H](F)C1.CC(C)N1C[C@@H](C)N[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CN(C)C1CCN(C(C)(C)C)CC1.CN(C)[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.

What is the InChIKey of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane?

The InChIKey is BNTUATQZMYRJNK-RTMCVIBRSA-N. The full InChI is InChI=1S/2C11H24N2.C10H21FN2.C10H22N2.C9H20N2.C9H19NO.C9H19N.C8H17NO.CH4/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8(2)13-6-5-10(12(3)4)9(11)7-13;1-10(2,3)12-7-6-9(8-12)11(4)5;1-7(2)11-5-8(3)10-9(4)6-11;1-7(2)10-5-8(3)11-9(4)6-10;1-8-5-6-10(7-8)9(2,3)4;1-8(2)9-4-3-6-10-7-5-9;/h2*10H,6-9H2,1-5H3;8-10H,5-7H2,1-4H3;9H,6-8H2,1-5H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3;1H4/t;;9-,10+;9-;2*8-,9+;8-;;/m..00..1../s1.

What are the key properties of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane?

1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane has a molecular weight of 1341.30 g/mol, XLogP of 12.87, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 157406484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).