1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine

C9H21N3 — CID 18621161

IUPAC1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CCN)CC1
InChIInChI=1S/C9H21N3/c1-11(2)9-3-6-12(7-4-9)8-5-10/h9H,3-8,10H2,1-2H3
InChIKeyXYIUIYHRNFXKQF-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.03
Rot. Bonds3

About 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine

1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 18621161) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine
PubChem CID18621161
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CCN)CC1
InChIInChI=1S/C9H21N3/c1-11(2)9-3-6-12(7-4-9)8-5-10/h9H,3-8,10H2,1-2H3
InChIKeyXYIUIYHRNFXKQF-UHFFFAOYSA-N
XLogP-0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexylpiperazine
CID 87298
1-Methyl-4-(piperidin-4-yl)piperazine
CID 795707
N-(2-Aminoethyl)piperidine
CID 33944
1-(3-Aminopropyl)-4-methylpiperazine
CID 78328
Piperidine-1-propylamine
CID 19049
3-amino-N-ethylpiperidine
CID 98094
N,N-Dimethylpiperidin-4-amine
CID 417391
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-Methyl-4-(methylamino)piperidine
CID 566323
1-Pentylpiperazine
CID 2737112
4-Amino-1-methylpiperidine
CID 2737531
1-(Propan-2-yl)piperidin-4-amine
CID 3163333

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine (CID 18621161) is 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(CCN)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is XYIUIYHRNFXKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-11(2)9-3-6-12(7-4-9)8-5-10/h9H,3-8,10H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine?
1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 171.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 18621161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).