4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride

C15H30Cl2N2O3 — CID 23456663

IUPAC4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride
SMILESCC(=O)C(CN1CCC(O)CC1)CN1CCC(O)CC1.Cl.Cl
InChIInChI=1S/C15H28N2O3.2ClH/c1-12(18)13(10-16-6-2-14(19)3-7-16)11-17-8-4-15(20)5-9-17;;/h13-15,19-20H,2-11H2,1H3;2*1H
InChIKeyBHCKHQZQAVTLRO-UHFFFAOYSA-N
MW357.32 g/mol
LogP0.95
Rot. Bonds5

About 4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride

4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride (PubChem CID 23456663) has the molecular formula C15H30Cl2N2O3 and a molecular weight of 357.32 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride
PubChem CID23456663
Molecular FormulaC15H30Cl2N2O3
Molecular Weight357.32 g/mol
Exact Mass356.16
IUPAC Name4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride
SMILESCC(=O)C(CN1CCC(O)CC1)CN1CCC(O)CC1.Cl.Cl
InChIInChI=1S/C15H28N2O3.2ClH/c1-12(18)13(10-16-6-2-14(19)3-7-16)11-17-8-4-15(20)5-9-17;;/h13-15,19-20H,2-11H2,1H3;2*1H
InChIKeyBHCKHQZQAVTLRO-UHFFFAOYSA-N
XLogP0.95
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride (CID 23456663) is 4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride is CC(=O)C(CN1CCC(O)CC1)CN1CCC(O)CC1.Cl.Cl.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride?
The InChIKey is BHCKHQZQAVTLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3.2ClH/c1-12(18)13(10-16-6-2-14(19)3-7-16)11-17-8-4-15(20)5-9-17;;/h13-15,19-20H,2-11H2,1H3;2*1H.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride?
4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride has a molecular weight of 357.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride is sourced from PubChem (CID 23456663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).