(2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride

C14H29Cl2N3O2 — CID 23540162

IUPAC(2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@H](N)CO)CC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-16-6-2-11(3-7-16)12-4-8-17(9-5-12)14(19)13(15)10-18;;/h11-13,18H,2-10,15H2,1H3;2*1H/t13-;;/m1../s1
InChIKeyGALVFJJOOWXEQW-FFXKMJQXSA-N
MW342.31 g/mol
LogP0.73
Rot. Bonds3

About (2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride

(2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 23540162) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
PubChem CID23540162
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Name(2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@H](N)CO)CC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-16-6-2-11(3-7-16)12-4-8-17(9-5-12)14(19)13(15)10-18;;/h11-13,18H,2-10,15H2,1H3;2*1H/t13-;;/m1../s1
InChIKeyGALVFJJOOWXEQW-FFXKMJQXSA-N
XLogP0.73
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(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,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 23540159
(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
CID 69143170
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride
CID 21060504
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 154650946
2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 58136033
(2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 142480196
(2S)-2-(ethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 87956704
(2R)-2-amino-3-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 161041639
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride (CID 23540162) is (2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride is CN1CCC(C2CCN(C(=O)[C@H](N)CO)CC2)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is GALVFJJOOWXEQW-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c1-16-6-2-11(3-7-16)12-4-8-17(9-5-12)14(19)13(15)10-18;;/h11-13,18H,2-10,15H2,1H3;2*1H/t13-;;/m1../s1.
What are the key properties of (2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
(2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 23540162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).