(2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride

C15H30ClN3O2 — CID 23540159

IUPAC(2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESC[C@@H](O)[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-11(19)14(16)15(20)18-9-5-13(6-10-18)12-3-7-17(2)8-4-12;/h11-14,19H,3-10,16H2,1-2H3;1H/t11-,14-;/m1./s1
InChIKeyFFDBWUBQCZXBRK-GBWFEORMSA-N
MW319.88 g/mol
LogP0.70
Rot. Bonds3

About (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride

(2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 23540159) has the molecular formula C15H30ClN3O2 and a molecular weight of 319.88 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID23540159
Molecular FormulaC15H30ClN3O2
Molecular Weight319.88 g/mol
Exact Mass319.20
IUPAC Name(2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESC[C@@H](O)[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-11(19)14(16)15(20)18-9-5-13(6-10-18)12-3-7-17(2)8-4-12;/h11-14,19H,3-10,16H2,1-2H3;1H/t11-,14-;/m1./s1
InChIKeyFFDBWUBQCZXBRK-GBWFEORMSA-N
XLogP0.70
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride with MolForge

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Related Compounds

(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
CID 69143170
(2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 23540162
1-(2-amino-3-hydroxybutanoyl)piperidine-4-carboxamide
CID 153399004
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 69329121
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 23540153
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 23540154
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride
CID 21060504
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 58136033
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride (CID 23540159) is (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride is C[C@@H](O)[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1.Cl.
What is the InChIKey of (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is FFDBWUBQCZXBRK-GBWFEORMSA-N. The full InChI is InChI=1S/C15H29N3O2.ClH/c1-11(19)14(16)15(20)18-9-5-13(6-10-18)12-3-7-17(2)8-4-12;/h11-14,19H,3-10,16H2,1-2H3;1H/t11-,14-;/m1./s1.
What are the key properties of (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride?
(2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 23540159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).