1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine

C12H24N2 — CID 137471274

IUPAC1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine
SMILESC=C(N)C1(CC(C)C)CCN(C)CC1
InChIInChI=1S/C12H24N2/c1-10(2)9-12(11(3)13)5-7-14(4)8-6-12/h10H,3,5-9,13H2,1-2,4H3
InChIKeyCCBBCZGJNCHEAZ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.22
Rot. Bonds3

About 1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine

1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine (PubChem CID 137471274) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine.

Molecular Properties

Compound Name1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine
PubChem CID137471274
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine
SMILESC=C(N)C1(CC(C)C)CCN(C)CC1
InChIInChI=1S/C12H24N2/c1-10(2)9-12(11(3)13)5-7-14(4)8-6-12/h10H,3,5-9,13H2,1-2,4H3
InChIKeyCCBBCZGJNCHEAZ-UHFFFAOYSA-N
XLogP2.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine?
The IUPAC name of 1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine (CID 137471274) is 1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine.
What is the SMILES notation for 1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine?
The canonical SMILES for 1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine is C=C(N)C1(CC(C)C)CCN(C)CC1.
What is the InChIKey of 1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine?
The InChIKey is CCBBCZGJNCHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)9-12(11(3)13)5-7-14(4)8-6-12/h10H,3,5-9,13H2,1-2,4H3.
What are the key properties of 1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine?
1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine has a molecular weight of 196.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine is sourced from PubChem (CID 137471274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).