2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol

C16H26N2O — CID 2845686

IUPAC2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol
SMILESCC(CCN1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-15(16-5-3-2-4-6-16)7-8-17-9-11-18(12-10-17)13-14-19/h2-6,15,19H,7-14H2,1H3
InChIKeyOAESXBMHRFBBKS-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.79
Rot. Bonds6

About 2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol

2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol (PubChem CID 2845686) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol
PubChem CID2845686
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol
SMILESCC(CCN1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-15(16-5-3-2-4-6-16)7-8-17-9-11-18(12-10-17)13-14-19/h2-6,15,19H,7-14H2,1H3
InChIKeyOAESXBMHRFBBKS-UHFFFAOYSA-N
XLogP1.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol (CID 2845686) is 2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol is CC(CCN1CCN(CCO)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol?
The InChIKey is OAESXBMHRFBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-15(16-5-3-2-4-6-16)7-8-17-9-11-18(12-10-17)13-14-19/h2-6,15,19H,7-14H2,1H3.
What are the key properties of 2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol?
2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol has a molecular weight of 262.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylbutyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 2845686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).