2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine

C15H25N3 — CID 3052544

IUPAC2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine
SMILESCC(Cc1ccccc1)N1CCN(CCN)CC1
InChIInChI=1S/C15H25N3/c1-14(13-15-5-3-2-4-6-15)18-11-9-17(8-7-16)10-12-18/h2-6,14H,7-13,16H2,1H3
InChIKeyOVTCPWDTNYWUDG-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.19
Rot. Bonds5

About 2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine

2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine (PubChem CID 3052544) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine
PubChem CID3052544
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine
SMILESCC(Cc1ccccc1)N1CCN(CCN)CC1
InChIInChI=1S/C15H25N3/c1-14(13-15-5-3-2-4-6-15)18-11-9-17(8-7-16)10-12-18/h2-6,14H,7-13,16H2,1H3
InChIKeyOVTCPWDTNYWUDG-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine (CID 3052544) is 2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine is CC(Cc1ccccc1)N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine?
The InChIKey is OVTCPWDTNYWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(13-15-5-3-2-4-6-15)18-11-9-17(8-7-16)10-12-18/h2-6,14H,7-13,16H2,1H3.
What are the key properties of 2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine?
2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 3052544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).