(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)

C53H128N12O2 — CID 157140155

IUPAC(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)
SMILESCC.CC.CC.CC.CC.CN1CCC[C@H](N)C1.CN1CCC[C@H](N)C1.C[C@@H]1C[C@H](N)CN(C)C1.C[C@@H]1C[C@H](N)CN(C)C1.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O.C[C@H]1CN(C)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C10H22N2O.C7H16N2O.2C7H16N2.2C6H14N2.5C2H6/c1-7-5-12(10(2,3)4)6-8(11)9(7)13;1-5-3-9(2)4-6(8)7(5)10;2*1-6-3-7(8)5-9(2)4-6;2*1-8-4-2-3-6(7)5-8;5*1-2/h7-9,13H,5-6,11H2,1-4H3;5-7,10H,3-4,8H2,1-2H3;2*6-7H,3-5,8H2,1-2H3;2*6H,2-5,7H2,1H3;5*1-2H3/t7-,8+,9+;5-,6+,7+;2*6-,7+;2*6-;;;;;/m001100...../s1
InChIKeyAKCFRNBGPKJRIY-QPHMNFGISA-N
MW965.69 g/mol
LogP5.46
Rot. Bonds

About (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)

(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) (PubChem CID 157140155) has the molecular formula C53H128N12O2 and a molecular weight of 965.69 g/mol. Its IUPAC name is (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).

Molecular Properties

Compound Name(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)
PubChem CID157140155
Molecular FormulaC53H128N12O2
Molecular Weight965.69 g/mol
Exact Mass965.03
IUPAC Name(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)
SMILESCC.CC.CC.CC.CC.CN1CCC[C@H](N)C1.CN1CCC[C@H](N)C1.C[C@@H]1C[C@H](N)CN(C)C1.C[C@@H]1C[C@H](N)CN(C)C1.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O.C[C@H]1CN(C)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C10H22N2O.C7H16N2O.2C7H16N2.2C6H14N2.5C2H6/c1-7-5-12(10(2,3)4)6-8(11)9(7)13;1-5-3-9(2)4-6(8)7(5)10;2*1-6-3-7(8)5-9(2)4-6;2*1-8-4-2-3-6(7)5-8;5*1-2/h7-9,13H,5-6,11H2,1-4H3;5-7,10H,3-4,8H2,1-2H3;2*6-7H,3-5,8H2,1-2H3;2*6H,2-5,7H2,1H3;5*1-2H3/t7-,8+,9+;5-,6+,7+;2*6-,7+;2*6-;;;;;/m001100...../s1
InChIKeyAKCFRNBGPKJRIY-QPHMNFGISA-N
XLogP5.46
TPSA216.02 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500965.69
LogP ≤ 55.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze (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) with MolForge

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Launch Full Analysis

Related Compounds

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
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
(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-4,5-dimethylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R)-1-tert-butyl-4-fluoropiperidin-3-amine;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);(3S)-1-tert-butylpiperidin-3-amine
CID 157588701
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;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine
CID 157588702
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidin-4-ol;4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylmorpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-(1-tert-butylpiperidin-4-yl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine
CID 158097837
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine
CID 158198814
(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate
CID 158204782
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine)
CID 158274179
(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;bis((3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol);(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine
CID 158581312
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine)
CID 158769273
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine
CID 158835019
1-Methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol
CID 158924340

Frequently Asked Questions

What is the IUPAC name of (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)?
The IUPAC name of (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) is (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).
What is the SMILES notation for (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)?
The canonical SMILES for (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) is CC.CC.CC.CC.CC.CN1CCC[C@H](N)C1.CN1CCC[C@H](N)C1.C[C@@H]1C[C@H](N)CN(C)C1.C[C@@H]1C[C@H](N)CN(C)C1.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O.C[C@H]1CN(C)C[C@@H](N)[C@@H]1O.
What is the InChIKey of (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)?
The InChIKey is AKCFRNBGPKJRIY-QPHMNFGISA-N. The full InChI is InChI=1S/C10H22N2O.C7H16N2O.2C7H16N2.2C6H14N2.5C2H6/c1-7-5-12(10(2,3)4)6-8(11)9(7)13;1-5-3-9(2)4-6(8)7(5)10;2*1-6-3-7(8)5-9(2)4-6;2*1-8-4-2-3-6(7)5-8;5*1-2/h7-9,13H,5-6,11H2,1-4H3;5-7,10H,3-4,8H2,1-2H3;2*6-7H,3-5,8H2,1-2H3;2*6H,2-5,7H2,1H3;5*1-2H3/t7-,8+,9+;5-,6+,7+;2*6-,7+;2*6-;;;;;/m001100...../s1.
What are the key properties of (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)?
(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) has a molecular weight of 965.69 g/mol, XLogP of 5.46, 0 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (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) is sourced from PubChem (CID 157140155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).