1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride

C9H22Cl2N2O — CID 71758734

IUPAC1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride
SMILESCC(C)(O)CN1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C9H20N2O.2ClH/c1-9(2,12)7-11-5-3-8(10)4-6-11;;/h8,12H,3-7,10H2,1-2H3;2*1H
InChIKeyDIMKFVPMBRQKBF-UHFFFAOYSA-N
MW245.19 g/mol
LogP1.02
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride

1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride (PubChem CID 71758734) has the molecular formula C9H22Cl2N2O and a molecular weight of 245.19 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride
PubChem CID71758734
Molecular FormulaC9H22Cl2N2O
Molecular Weight245.19 g/mol
Exact Mass244.11
IUPAC Name1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride
SMILESCC(C)(O)CN1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C9H20N2O.2ClH/c1-9(2,12)7-11-5-3-8(10)4-6-11;;/h8,12H,3-7,10H2,1-2H3;2*1H
InChIKeyDIMKFVPMBRQKBF-UHFFFAOYSA-N
XLogP1.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride (CID 71758734) is 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride is CC(C)(O)CN1CCC(N)CC1.Cl.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride?
The InChIKey is DIMKFVPMBRQKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.2ClH/c1-9(2,12)7-11-5-3-8(10)4-6-11;;/h8,12H,3-7,10H2,1-2H3;2*1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride?
1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride has a molecular weight of 245.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol;dihydrochloride is sourced from PubChem (CID 71758734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).