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

C43H87F3N8O2 — CID 157485992

IUPAC3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine
SMILESCC(C)(C)N1CC(N)C(O)C(C(F)(F)F)C1.CC(C)(C)N1CC(N)C(O)C(C2CC2)C1.CC(C)(C)N1CC(N)CC(C2CC2)C1.CC(C)(C)N1CCCC(N)C1
InChIInChI=1S/C12H24N2O.C12H24N2.C10H19F3N2O.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)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;8H,4-7,10H2,1-3H3
InChIKeyBWSIILCLDWUEDY-UHFFFAOYSA-N
MW805.22 g/mol
LogP4.83
Rot. Bonds2

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

3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine (PubChem CID 157485992) has the molecular formula C43H87F3N8O2 and a molecular weight of 805.22 g/mol. Its IUPAC name is 3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine.

Molecular Properties

Compound Name3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine
PubChem CID157485992
Molecular FormulaC43H87F3N8O2
Molecular Weight805.22 g/mol
Exact Mass804.69
IUPAC Name3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine
SMILESCC(C)(C)N1CC(N)C(O)C(C(F)(F)F)C1.CC(C)(C)N1CC(N)C(O)C(C2CC2)C1.CC(C)(C)N1CC(N)CC(C2CC2)C1.CC(C)(C)N1CCCC(N)C1
InChIInChI=1S/C12H24N2O.C12H24N2.C10H19F3N2O.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)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;8H,4-7,10H2,1-3H3
InChIKeyBWSIILCLDWUEDY-UHFFFAOYSA-N
XLogP4.83
TPSA157.50 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.22
LogP ≤ 54.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
CID 158152274
1,4-ditert-butyl-3-(trifluoromethyl)piperidine
CID 170677204
(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
CID 90286839
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
CID 43810977
(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol
CID 139039444
(1-tert-butylazepan-3-yl)methanamine
CID 84659780
2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;methanamine
CID 161009351
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
(4aR,9aS)-2-tert-butyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 177091960
(3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine
CID 166815435
1-tert-butylpyrrolidine-3,4-diamine
CID 89335821

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine?
The IUPAC name of 3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine (CID 157485992) is 3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine.
What is the SMILES notation for 3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine?
The canonical SMILES for 3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine is CC(C)(C)N1CC(N)C(O)C(C(F)(F)F)C1.CC(C)(C)N1CC(N)C(O)C(C2CC2)C1.CC(C)(C)N1CC(N)CC(C2CC2)C1.CC(C)(C)N1CCCC(N)C1.
What is the InChIKey of 3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine?
The InChIKey is BWSIILCLDWUEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C12H24N2.C10H19F3N2O.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)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;8H,4-7,10H2,1-3H3.
What are the key properties of 3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine?
3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine has a molecular weight of 805.22 g/mol, XLogP of 4.83, 2 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine is sourced from PubChem (CID 157485992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).