3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine

C12H27N3 — CID 19845999

IUPAC3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1CCN(CCN)CC1
InChIInChI=1S/C12H27N3/c1-14(2)8-3-4-12-5-9-15(10-6-12)11-7-13/h12H,3-11,13H2,1-2H3
InChIKeyBMZLCBYFLQXSRW-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds6

About 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine

3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine (PubChem CID 19845999) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
PubChem CID19845999
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1CCN(CCN)CC1
InChIInChI=1S/C12H27N3/c1-14(2)8-3-4-12-5-9-15(10-6-12)11-7-13/h12H,3-11,13H2,1-2H3
InChIKeyBMZLCBYFLQXSRW-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine (CID 19845999) is 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1CCN(CCN)CC1.
What is the InChIKey of 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is BMZLCBYFLQXSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-14(2)8-3-4-12-5-9-15(10-6-12)11-7-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine?
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 19845999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).