1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride

C12H27ClN2 — CID 130762964

IUPAC1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride
SMILESCCC(C)(C)CN1CCC(C)(N)CC1.Cl
InChIInChI=1S/C12H26N2.ClH/c1-5-11(2,3)10-14-8-6-12(4,13)7-9-14;/h5-10,13H2,1-4H3;1H
InChIKeyNGBLILNRYFVIGY-UHFFFAOYSA-N
MW234.81 g/mol
LogP2.66
Rot. Bonds3

About 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride

1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride (PubChem CID 130762964) has the molecular formula C12H27ClN2 and a molecular weight of 234.81 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride
PubChem CID130762964
Molecular FormulaC12H27ClN2
Molecular Weight234.81 g/mol
Exact Mass234.19
IUPAC Name1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride
SMILESCCC(C)(C)CN1CCC(C)(N)CC1.Cl
InChIInChI=1S/C12H26N2.ClH/c1-5-11(2,3)10-14-8-6-12(4,13)7-9-14;/h5-10,13H2,1-4H3;1H
InChIKeyNGBLILNRYFVIGY-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride (CID 130762964) is 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride is CCC(C)(C)CN1CCC(C)(N)CC1.Cl.
What is the InChIKey of 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride?
The InChIKey is NGBLILNRYFVIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.ClH/c1-5-11(2,3)10-14-8-6-12(4,13)7-9-14;/h5-10,13H2,1-4H3;1H.
What are the key properties of 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride?
1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride has a molecular weight of 234.81 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 130762964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).