4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride

C8H20Cl2N2O — CID 19382216

IUPAC4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride
SMILESCN(C)CC1(O)CCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-10(2)7-8(11)3-5-9-6-4-8;;/h9,11H,3-7H2,1-2H3;2*1H
InChIKeyMYISEZLKOWOGFX-UHFFFAOYSA-N
MW231.17 g/mol
LogP0.51
Rot. Bonds2

About 4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride

4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride (PubChem CID 19382216) has the molecular formula C8H20Cl2N2O and a molecular weight of 231.17 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride
PubChem CID19382216
Molecular FormulaC8H20Cl2N2O
Molecular Weight231.17 g/mol
Exact Mass230.10
IUPAC Name4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride
SMILESCN(C)CC1(O)CCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-10(2)7-8(11)3-5-9-6-4-8;;/h9,11H,3-7H2,1-2H3;2*1H
InChIKeyMYISEZLKOWOGFX-UHFFFAOYSA-N
XLogP0.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride?
The IUPAC name of 4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride (CID 19382216) is 4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride?
The canonical SMILES for 4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride is CN(C)CC1(O)CCNCC1.Cl.Cl.
What is the InChIKey of 4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride?
The InChIKey is MYISEZLKOWOGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.2ClH/c1-10(2)7-8(11)3-5-9-6-4-8;;/h9,11H,3-7H2,1-2H3;2*1H.
What are the key properties of 4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride?
4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride has a molecular weight of 231.17 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 19382216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).