(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine

C73H150F6N14O3 — CID 159991142

IUPAC(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
SMILESCC(C)(C)N1CCC[C@H](N)C1.CC(C)(C)N1C[C@@H](N)C[C@@H](C(F)(F)F)C1.CC(C)(C)N1C[C@@H](N)C[C@@H](C2CC2)C1.CC(C)(C)N1C[C@@H](N)[C@H](O)[C@@H](C(F)(F)F)C1.CC(C)(C)N1C[C@@H](N)[C@H](O)[C@@H](C2CC2)C1.C[C@@H]1C[C@H](N)CN(C(C)(C)C)C1.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C12H24N2O.C12H24N2.C10H19F3N2O.C10H19F3N2.C10H22N2O.C10H22N2.C9H20N2/c1-12(2,3)14-6-9(8-4-5-8)11(15)10(13)7-14;1-12(2,3)14-7-10(9-4-5-9)6-11(13)8-14;1-9(2,3)15-4-6(10(11,12)13)8(16)7(14)5-15;1-9(2,3)15-5-7(10(11,12)13)4-8(14)6-15;1-7-5-12(10(2,3)4)6-8(11)9(7)13;1-8-5-9(11)7-12(6-8)10(2,3)4;1-9(2,3)11-6-4-5-8(10)7-11/h8-11,15H,4-7,13H2,1-3H3;9-11H,4-8,13H2,1-3H3;6-8,16H,4-5,14H2,1-3H3;7-8H,4-6,14H2,1-3H3;7-9,13H,5-6,11H2,1-4H3;8-9H,5-7,11H2,1-4H3;8H,4-7,10H2,1-3H3/t9-,10-,11-;10-,11+;6-,7+,8+;7-,8+;7-,8+,9+;8-,9+;8-/m1101010/s1
InChIKeyOGYPAYFUHHIPIG-XGGZEAEFSA-N
MW1386.09 g/mol
LogP8.71
Rot. Bonds2

About (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine

(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 159991142) has the molecular formula C73H150F6N14O3 and a molecular weight of 1386.09 g/mol. Its IUPAC name is (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
PubChem CID159991142
Molecular FormulaC73H150F6N14O3
Molecular Weight1386.09 g/mol
Exact Mass1385.19
IUPAC Name(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
SMILESCC(C)(C)N1CCC[C@H](N)C1.CC(C)(C)N1C[C@@H](N)C[C@@H](C(F)(F)F)C1.CC(C)(C)N1C[C@@H](N)C[C@@H](C2CC2)C1.CC(C)(C)N1C[C@@H](N)[C@H](O)[C@@H](C(F)(F)F)C1.CC(C)(C)N1C[C@@H](N)[C@H](O)[C@@H](C2CC2)C1.C[C@@H]1C[C@H](N)CN(C(C)(C)C)C1.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C12H24N2O.C12H24N2.C10H19F3N2O.C10H19F3N2.C10H22N2O.C10H22N2.C9H20N2/c1-12(2,3)14-6-9(8-4-5-8)11(15)10(13)7-14;1-12(2,3)14-7-10(9-4-5-9)6-11(13)8-14;1-9(2,3)15-4-6(10(11,12)13)8(16)7(14)5-15;1-9(2,3)15-5-7(10(11,12)13)4-8(14)6-15;1-7-5-12(10(2,3)4)6-8(11)9(7)13;1-8-5-9(11)7-12(6-8)10(2,3)4;1-9(2,3)11-6-4-5-8(10)7-11/h8-11,15H,4-7,13H2,1-3H3;9-11H,4-8,13H2,1-3H3;6-8,16H,4-5,14H2,1-3H3;7-8H,4-6,14H2,1-3H3;7-9,13H,5-6,11H2,1-4H3;8-9H,5-7,11H2,1-4H3;8H,4-7,10H2,1-3H3/t9-,10-,11-;10-,11+;6-,7+,8+;7-,8+;7-,8+,9+;8-,9+;8-/m1101010/s1
InChIKeyOGYPAYFUHHIPIG-XGGZEAEFSA-N
XLogP8.71
TPSA265.51 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds2
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001386.09
LogP ≤ 58.71
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine (CID 159991142) is (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine is CC(C)(C)N1CCC[C@H](N)C1.CC(C)(C)N1C[C@@H](N)C[C@@H](C(F)(F)F)C1.CC(C)(C)N1C[C@@H](N)C[C@@H](C2CC2)C1.CC(C)(C)N1C[C@@H](N)[C@H](O)[C@@H](C(F)(F)F)C1.CC(C)(C)N1C[C@@H](N)[C@H](O)[C@@H](C2CC2)C1.C[C@@H]1C[C@H](N)CN(C(C)(C)C)C1.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is OGYPAYFUHHIPIG-XGGZEAEFSA-N. The full InChI is InChI=1S/C12H24N2O.C12H24N2.C10H19F3N2O.C10H19F3N2.C10H22N2O.C10H22N2.C9H20N2/c1-12(2,3)14-6-9(8-4-5-8)11(15)10(13)7-14;1-12(2,3)14-7-10(9-4-5-9)6-11(13)8-14;1-9(2,3)15-4-6(10(11,12)13)8(16)7(14)5-15;1-9(2,3)15-5-7(10(11,12)13)4-8(14)6-15;1-7-5-12(10(2,3)4)6-8(11)9(7)13;1-8-5-9(11)7-12(6-8)10(2,3)4;1-9(2,3)11-6-4-5-8(10)7-11/h8-11,15H,4-7,13H2,1-3H3;9-11H,4-8,13H2,1-3H3;6-8,16H,4-5,14H2,1-3H3;7-8H,4-6,14H2,1-3H3;7-9,13H,5-6,11H2,1-4H3;8-9H,5-7,11H2,1-4H3;8H,4-7,10H2,1-3H3/t9-,10-,11-;10-,11+;6-,7+,8+;7-,8+;7-,8+,9+;8-,9+;8-/m1101010/s1.
What are the key properties of (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine?
(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 1386.09 g/mol, XLogP of 8.71, 2 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 159991142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).