(3R,4S)-4-piperidin-1-yloxan-3-amine

C10H20N2O — CID 67361386

IUPAC(3R,4S)-4-piperidin-1-yloxan-3-amine
SMILESN[C@H]1COCC[C@@H]1N1CCCCC1
InChIInChI=1S/C10H20N2O/c11-9-8-13-7-4-10(9)12-5-2-1-3-6-12/h9-10H,1-8,11H2/t9-,10-/m0/s1
InChIKeyNAELRXQLENAHKY-UWVGGRQHSA-N
MW184.28 g/mol
LogP0.59
Rot. Bonds1

About (3R,4S)-4-piperidin-1-yloxan-3-amine

(3R,4S)-4-piperidin-1-yloxan-3-amine (PubChem CID 67361386) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R,4S)-4-piperidin-1-yloxan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-piperidin-1-yloxan-3-amine
PubChem CID67361386
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(3R,4S)-4-piperidin-1-yloxan-3-amine
SMILESN[C@H]1COCC[C@@H]1N1CCCCC1
InChIInChI=1S/C10H20N2O/c11-9-8-13-7-4-10(9)12-5-2-1-3-6-12/h9-10H,1-8,11H2/t9-,10-/m0/s1
InChIKeyNAELRXQLENAHKY-UWVGGRQHSA-N
XLogP0.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-piperidin-1-yloxan-3-amine?
The IUPAC name of (3R,4S)-4-piperidin-1-yloxan-3-amine (CID 67361386) is (3R,4S)-4-piperidin-1-yloxan-3-amine.
What is the SMILES notation for (3R,4S)-4-piperidin-1-yloxan-3-amine?
The canonical SMILES for (3R,4S)-4-piperidin-1-yloxan-3-amine is N[C@H]1COCC[C@@H]1N1CCCCC1.
What is the InChIKey of (3R,4S)-4-piperidin-1-yloxan-3-amine?
The InChIKey is NAELRXQLENAHKY-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2O/c11-9-8-13-7-4-10(9)12-5-2-1-3-6-12/h9-10H,1-8,11H2/t9-,10-/m0/s1.
What are the key properties of (3R,4S)-4-piperidin-1-yloxan-3-amine?
(3R,4S)-4-piperidin-1-yloxan-3-amine has a molecular weight of 184.28 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-piperidin-1-yloxan-3-amine is sourced from PubChem (CID 67361386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).