(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,4R)-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

C66H146N14O6 — CID 160564552

IUPAC(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,4R)-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
SMILESCC(C)(C)N1CC[C@@H](O)[C@@H](N)C1.CC(C)(C)N1CC[C@@H](O)[C@H](N)C1.CC(C)(C)N1CC[C@H](O)[C@@H](N)C1.CC(C)(C)N1CC[C@H](O)[C@H](N)C1.C[C@@H]1CN(C(C)(C)C)C[C@H](N)[C@H]1O.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/2C10H22N2O.C10H22N2.4C9H20N2O/c2*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;4*1-9(2,3)11-5-4-8(12)7(10)6-11/h2*7-9,13H,5-6,11H2,1-4H3;8-9H,5-7,11H2,1-4H3;4*7-8,12H,4-6,10H2,1-3H3/t2*7-,8+,9+;8-,9+;2*7-,8+;2*7-,8-/m1011010/s1
InChIKeyQZTCLMKQKCPNCB-FRJIWOLBSA-N
MW1231.99 g/mol
LogP3.02
Rot. Bonds

About (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,4R)-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

(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,4R)-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 (PubChem CID 160564552) has the molecular formula C66H146N14O6 and a molecular weight of 1231.99 g/mol. Its IUPAC name is (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,4R)-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.

Molecular Properties

Compound Name(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,4R)-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
PubChem CID160564552
Molecular FormulaC66H146N14O6
Molecular Weight1231.99 g/mol
Exact Mass1231.15
IUPAC Name(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,4R)-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
SMILESCC(C)(C)N1CC[C@@H](O)[C@@H](N)C1.CC(C)(C)N1CC[C@@H](O)[C@H](N)C1.CC(C)(C)N1CC[C@H](O)[C@@H](N)C1.CC(C)(C)N1CC[C@H](O)[C@H](N)C1.C[C@@H]1CN(C(C)(C)C)C[C@H](N)[C@H]1O.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/2C10H22N2O.C10H22N2.4C9H20N2O/c2*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;4*1-9(2,3)11-5-4-8(12)7(10)6-11/h2*7-9,13H,5-6,11H2,1-4H3;8-9H,5-7,11H2,1-4H3;4*7-8,12H,4-6,10H2,1-3H3/t2*7-,8+,9+;8-,9+;2*7-,8+;2*7-,8-/m1011010/s1
InChIKeyQZTCLMKQKCPNCB-FRJIWOLBSA-N
XLogP3.02
TPSA326.20 Ų
H-Bond Donors13
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001231.99
LogP ≤ 53.02
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1020

Analyze (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,4R)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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,4R)-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?
The IUPAC name of (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,4R)-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 (CID 160564552) is (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,4R)-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.
What is the SMILES notation for (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,4R)-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?
The canonical SMILES for (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,4R)-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 is CC(C)(C)N1CC[C@@H](O)[C@@H](N)C1.CC(C)(C)N1CC[C@@H](O)[C@H](N)C1.CC(C)(C)N1CC[C@H](O)[C@@H](N)C1.CC(C)(C)N1CC[C@H](O)[C@H](N)C1.C[C@@H]1CN(C(C)(C)C)C[C@H](N)[C@H]1O.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 (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,4R)-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?
The InChIKey is QZTCLMKQKCPNCB-FRJIWOLBSA-N. The full InChI is InChI=1S/2C10H22N2O.C10H22N2.4C9H20N2O/c2*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;4*1-9(2,3)11-5-4-8(12)7(10)6-11/h2*7-9,13H,5-6,11H2,1-4H3;8-9H,5-7,11H2,1-4H3;4*7-8,12H,4-6,10H2,1-3H3/t2*7-,8+,9+;8-,9+;2*7-,8+;2*7-,8-/m1011010/s1.
What are the key properties of (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,4R)-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?
(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,4R)-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 has a molecular weight of 1231.99 g/mol, XLogP of 3.02, 0 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (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,4R)-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 is sourced from PubChem (CID 160564552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).