2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol

C18H30N2O — CID 23723392

IUPAC2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(CCCc2ccccc2)CC1CCO
InChIInChI=1S/C18H30N2O/c1-16(2)20-13-12-19(15-18(20)10-14-21)11-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,18,21H,6,9-15H2,1-2H3
InChIKeyBJMOVCGRXXLABN-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.40
Rot. Bonds7

About 2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol

2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 23723392) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID23723392
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(CCCc2ccccc2)CC1CCO
InChIInChI=1S/C18H30N2O/c1-16(2)20-13-12-19(15-18(20)10-14-21)11-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,18,21H,6,9-15H2,1-2H3
InChIKeyBJMOVCGRXXLABN-UHFFFAOYSA-N
XLogP2.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol (CID 23723392) is 2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(CCCc2ccccc2)CC1CCO.
What is the InChIKey of 2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is BJMOVCGRXXLABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(2)20-13-12-19(15-18(20)10-14-21)11-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,18,21H,6,9-15H2,1-2H3.
What are the key properties of 2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylpropyl)-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 23723392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).