2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol

C15H22N2O — CID 114993229

IUPAC2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol
SMILESOCC(c1ccccc1)(C1CC1)N1CCNCC1
InChIInChI=1S/C15H22N2O/c18-12-15(14-6-7-14,13-4-2-1-3-5-13)17-10-8-16-9-11-17/h1-5,14,16,18H,6-12H2
InChIKeyBJPZWYQGQAEMEC-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.19
Rot. Bonds4

About 2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol

2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol (PubChem CID 114993229) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol
PubChem CID114993229
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol
SMILESOCC(c1ccccc1)(C1CC1)N1CCNCC1
InChIInChI=1S/C15H22N2O/c18-12-15(14-6-7-14,13-4-2-1-3-5-13)17-10-8-16-9-11-17/h1-5,14,16,18H,6-12H2
InChIKeyBJPZWYQGQAEMEC-UHFFFAOYSA-N
XLogP1.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10726043
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CID 202127
2-(Benzylamino)-2-cyclopropylethan-1-ol
CID 61310753
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol?
The IUPAC name of 2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol (CID 114993229) is 2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol?
The canonical SMILES for 2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol is OCC(c1ccccc1)(C1CC1)N1CCNCC1.
What is the InChIKey of 2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol?
The InChIKey is BJPZWYQGQAEMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-12-15(14-6-7-14,13-4-2-1-3-5-13)17-10-8-16-9-11-17/h1-5,14,16,18H,6-12H2.
What are the key properties of 2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol?
2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol has a molecular weight of 246.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-phenyl-2-piperazin-1-ylethanol is sourced from PubChem (CID 114993229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).