(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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine

C54H120N12O4 — CID 159659091

IUPAC(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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine
SMILESCC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[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.CC(C)(C)N1CC[C@H](O)[C@H](N)C1
InChIInChI=1S/4C9H20N2O.2C9H20N2/c4*1-9(2,3)11-5-4-8(12)7(10)6-11;2*1-9(2,3)11-6-4-5-8(10)7-11/h4*7-8,12H,4-6,10H2,1-3H3;2*8H,4-7,10H2,1-3H3/t2*7-,8+;2*7-,8-;2*8-/m101010/s1
InChIKeyMSOIMGMBJPAALO-MIZSWZPUSA-N
MW1001.63 g/mol
LogP3.13
Rot. Bonds

About (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine

(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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine (PubChem CID 159659091) has the molecular formula C54H120N12O4 and a molecular weight of 1001.63 g/mol. Its IUPAC name is (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine.

Molecular Properties

Compound Name(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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine
PubChem CID159659091
Molecular FormulaC54H120N12O4
Molecular Weight1001.63 g/mol
Exact Mass1000.96
IUPAC Name(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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine
SMILESCC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[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.CC(C)(C)N1CC[C@H](O)[C@H](N)C1
InChIInChI=1S/4C9H20N2O.2C9H20N2/c4*1-9(2,3)11-5-4-8(12)7(10)6-11;2*1-9(2,3)11-6-4-5-8(10)7-11/h4*7-8,12H,4-6,10H2,1-3H3;2*8H,4-7,10H2,1-3H3/t2*7-,8+;2*7-,8-;2*8-/m101010/s1
InChIKeyMSOIMGMBJPAALO-MIZSWZPUSA-N
XLogP3.13
TPSA256.48 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.63
LogP ≤ 53.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine?
The IUPAC name of (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine (CID 159659091) is (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine.
What is the SMILES notation for (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine?
The canonical SMILES for (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine is CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[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.CC(C)(C)N1CC[C@H](O)[C@H](N)C1.
What is the InChIKey of (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine?
The InChIKey is MSOIMGMBJPAALO-MIZSWZPUSA-N. The full InChI is InChI=1S/4C9H20N2O.2C9H20N2/c4*1-9(2,3)11-5-4-8(12)7(10)6-11;2*1-9(2,3)11-6-4-5-8(10)7-11/h4*7-8,12H,4-6,10H2,1-3H3;2*8H,4-7,10H2,1-3H3/t2*7-,8+;2*7-,8-;2*8-/m101010/s1.
What are the key properties of (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine?
(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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine has a molecular weight of 1001.63 g/mol, XLogP of 3.13, 0 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (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)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine is sourced from PubChem (CID 159659091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).