3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine

C15H25N3 — CID 82383657

IUPAC3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine
SMILESCN1CCN(Cc2ccccc2)CC1CCCN
InChIInChI=1S/C15H25N3/c1-17-10-11-18(13-15(17)8-5-9-16)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,16H2,1H3
InChIKeyZANVQNJFAXKVBR-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.54
Rot. Bonds5

About 3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine

3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine (PubChem CID 82383657) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine
PubChem CID82383657
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine
SMILESCN1CCN(Cc2ccccc2)CC1CCCN
InChIInChI=1S/C15H25N3/c1-17-10-11-18(13-15(17)8-5-9-16)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,16H2,1H3
InChIKeyZANVQNJFAXKVBR-UHFFFAOYSA-N
XLogP1.54
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine
CID 69210671
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4-benzyl-2-fluoro-1-methylpiperazine
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(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine
CID 82380060
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
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2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
[(2S)-4-benzyl-1-methylpiperazin-2-yl] acetate
CID 66769581
[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol
CID 71157233
1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
CID 11171961
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
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1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
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CID 45213559

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine?
The IUPAC name of 3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine (CID 82383657) is 3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine is CN1CCN(Cc2ccccc2)CC1CCCN.
What is the InChIKey of 3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine?
The InChIKey is ZANVQNJFAXKVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17-10-11-18(13-15(17)8-5-9-16)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,16H2,1H3.
What are the key properties of 3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine?
3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine is sourced from PubChem (CID 82383657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).