3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine

C17H29N3 — CID 64936533

IUPAC3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCC1CNC(Cc2ccccc2)CN1CCCN(C)C
InChIInChI=1S/C17H29N3/c1-15-13-18-17(12-16-8-5-4-6-9-16)14-20(15)11-7-10-19(2)3/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3
InChIKeyMFSYEYRRQILDNJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.84
Rot. Bonds6

About 3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine

3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 64936533) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID64936533
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCC1CNC(Cc2ccccc2)CN1CCCN(C)C
InChIInChI=1S/C17H29N3/c1-15-13-18-17(12-16-8-5-4-6-9-16)14-20(15)11-7-10-19(2)3/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3
InChIKeyMFSYEYRRQILDNJ-UHFFFAOYSA-N
XLogP1.84
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
CID 64937615
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055753
3-benzyl-7-methyl-1-(4-methylpentyl)-1,4-diazepane
CID 83149660
1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82248267
5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
CID 65043153
N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine
CID 64934814
5-benzyl-1-cyclopropyl-2-methylpiperazine
CID 64954279
5-benzyl-1-tert-butyl-2-methylpiperazine
CID 64952465
5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine
CID 80610250
5-benzyl-2-methyl-1-pentan-3-ylpiperazine
CID 64954473

Frequently Asked Questions

What is the IUPAC name of 3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine (CID 64936533) is 3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine is CC1CNC(Cc2ccccc2)CN1CCCN(C)C.
What is the InChIKey of 3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is MFSYEYRRQILDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15-13-18-17(12-16-8-5-4-6-9-16)14-20(15)11-7-10-19(2)3/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3.
What are the key properties of 3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 64936533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).