1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride

C11H25ClN2O — CID 71758417

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride
SMILESCC(N)C1CCCN(CC(C)(C)O)C1.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-9(12)10-5-4-6-13(7-10)8-11(2,3)14;/h9-10,14H,4-8,12H2,1-3H3;1H
InChIKeyYMGMSRPNBPFFRD-UHFFFAOYSA-N
MW236.79 g/mol
LogP1.24
Rot. Bonds3

About 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride

1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride (PubChem CID 71758417) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride
PubChem CID71758417
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride
SMILESCC(N)C1CCCN(CC(C)(C)O)C1.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-9(12)10-5-4-6-13(7-10)8-11(2,3)14;/h9-10,14H,4-8,12H2,1-3H3;1H
InChIKeyYMGMSRPNBPFFRD-UHFFFAOYSA-N
XLogP1.24
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride (CID 71758417) is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride is CC(N)C1CCCN(CC(C)(C)O)C1.Cl.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride?
The InChIKey is YMGMSRPNBPFFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-9(12)10-5-4-6-13(7-10)8-11(2,3)14;/h9-10,14H,4-8,12H2,1-3H3;1H.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride?
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 71758417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).