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

C61H126F6N12O2 — CID 159336900

IUPAC3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
SMILESCC(C)(C)N1CC(N)C(O)C(C(F)(F)F)C1.CC(C)(C)N1CC(N)CC(C(F)(F)F)C1.CC(C)(C)N1CC(N)CC(C2CC2)C1.CC(C)(C)N1CCCC(N)C1.CC1CC(N)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(N)C1O
InChIInChI=1S/C12H24N2.C10H19F3N2O.C10H19F3N2.C10H22N2O.C10H22N2.C9H20N2/c1-12(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/h9-11H,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
InChIKeyLFQRIDKZIUPHKI-UHFFFAOYSA-N
MW1173.75 g/mol
LogP7.89
Rot. Bonds1

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

3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 159336900) has the molecular formula C61H126F6N12O2 and a molecular weight of 1173.75 g/mol. Its IUPAC name is 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
PubChem CID159336900
Molecular FormulaC61H126F6N12O2
Molecular Weight1173.75 g/mol
Exact Mass1173.00
IUPAC Name3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
SMILESCC(C)(C)N1CC(N)C(O)C(C(F)(F)F)C1.CC(C)(C)N1CC(N)CC(C(F)(F)F)C1.CC(C)(C)N1CC(N)CC(C2CC2)C1.CC(C)(C)N1CCCC(N)C1.CC1CC(N)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(N)C1O
InChIInChI=1S/C12H24N2.C10H19F3N2O.C10H19F3N2.C10H22N2O.C10H22N2.C9H20N2/c1-12(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/h9-11H,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
InChIKeyLFQRIDKZIUPHKI-UHFFFAOYSA-N
XLogP7.89
TPSA216.02 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001173.75
LogP ≤ 57.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

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

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Launch Full Analysis

Related Compounds

(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-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 157064634
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
(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(1S)-3-tert-butylcyclohexan-1-amine;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine;trans-(1S,5S)-3-tert-butyl-5-methylcyclohexan-1-amine
CID 158446454
(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-(trifluoromethyl)piperidin-3-amine
CID 159180231
3-Amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;3-tert-butylcyclohexan-1-amine;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 159437637
3-Amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 159991141
(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
3-Amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-4,5-dimethylpiperidin-4-ol;3-amino-1-tert-butyl-5-methylpiperidin-4-ol;1-tert-butyl-4-fluoropiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 160830743
(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 161433900
3-Amino-1-tert-butyl-5-methylpiperidin-4-ol;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 161622913
4-tert-butyl-1-cyclopropylpiperidine;4-tert-butyl-1-(2-methoxyethyl)-4-methylpiperidine;4-tert-butyl-1-(2-methoxyethyl)piperidine;4-tert-butyl-1-(3-methoxypropyl)-4-methylpiperidine;bis(4-tert-butyl-4-methyl-1-propylpiperidine);4-tert-butyl-4-methyl-1-(2,2,2-trifluoroethyl)piperidine;2-(4-tert-butylpiperidin-1-yl)-N,N-dimethylethanamine;2-(4-tert-butylpiperidin-1-yl)ethanamine;2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-propylpiperidine
CID 161788707
(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1,5-dimethylpiperidin-4-ol;bis((3S,5R)-1,5-dimethylpiperidin-3-amine);ethane;bis((3S)-1-methylpiperidin-3-amine)
CID 157140155

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine (CID 159336900) is 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine is CC(C)(C)N1CC(N)C(O)C(C(F)(F)F)C1.CC(C)(C)N1CC(N)CC(C(F)(F)F)C1.CC(C)(C)N1CC(N)CC(C2CC2)C1.CC(C)(C)N1CCCC(N)C1.CC1CC(N)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(N)C1O.
What is the InChIKey of 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is LFQRIDKZIUPHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C10H19F3N2O.C10H19F3N2.C10H22N2O.C10H22N2.C9H20N2/c1-12(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/h9-11H,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.
What are the key properties of 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine?
3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 1173.75 g/mol, XLogP of 7.89, 1 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butyl-5-methylpiperidin-3-amine;1-tert-butylpiperidin-3-amine;1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 159336900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).