(3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol

C12H24N2O — CID 126510412

IUPAC(3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol
SMILESCC(C)(C)N1CC(C2CC2)[C@@H](O)[C@H](N)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-6-9(8-4-5-8)11(15)10(13)7-14/h8-11,15H,4-7,13H2,1-3H3/t9?,10-,11-/m1/s1
InChIKeyIDTLDHBKSKIWED-FHZGLPGMSA-N
MW212.34 g/mol
LogP0.81
Rot. Bonds1

About (3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol

(3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol (PubChem CID 126510412) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol
PubChem CID126510412
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol
SMILESCC(C)(C)N1CC(C2CC2)[C@@H](O)[C@H](N)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-6-9(8-4-5-8)11(15)10(13)7-14/h8-11,15H,4-7,13H2,1-3H3/t9?,10-,11-/m1/s1
InChIKeyIDTLDHBKSKIWED-FHZGLPGMSA-N
XLogP0.81
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol?
The IUPAC name of (3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol (CID 126510412) is (3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol is CC(C)(C)N1CC(C2CC2)[C@@H](O)[C@H](N)C1.
What is the InChIKey of (3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol?
The InChIKey is IDTLDHBKSKIWED-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)14-6-9(8-4-5-8)11(15)10(13)7-14/h8-11,15H,4-7,13H2,1-3H3/t9?,10-,11-/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol?
(3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol has a molecular weight of 212.34 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol is sourced from PubChem (CID 126510412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).