(2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine

C15H32N2O — CID 112736877

IUPAC(2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC1CCC(C)N(C[C@@H](N)[C@@H](C)OC(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-11-7-8-12(2)17(9-11)10-14(16)13(3)18-15(4,5)6/h11-14H,7-10,16H2,1-6H3/t11?,12?,13-,14-/m1/s1
InChIKeyGTYMFUWQEDJALM-NWINJMCUSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds4

About (2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine

(2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 112736877) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is (2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name(2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID112736877
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name(2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC1CCC(C)N(C[C@@H](N)[C@@H](C)OC(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-11-7-8-12(2)17(9-11)10-14(16)13(3)18-15(4,5)6/h11-14H,7-10,16H2,1-6H3/t11?,12?,13-,14-/m1/s1
InChIKeyGTYMFUWQEDJALM-NWINJMCUSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of (2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 112736877) is (2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for (2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for (2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine is CC1CCC(C)N(C[C@@H](N)[C@@H](C)OC(C)(C)C)C1.
What is the InChIKey of (2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is GTYMFUWQEDJALM-NWINJMCUSA-N. The full InChI is InChI=1S/C15H32N2O/c1-11-7-8-12(2)17(9-11)10-14(16)13(3)18-15(4,5)6/h11-14H,7-10,16H2,1-6H3/t11?,12?,13-,14-/m1/s1.
What are the key properties of (2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine?
(2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 112736877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).