1-(4-phenylpiperazin-1-yl)propan-1-ol

C13H20N2O — CID 57202840

IUPAC1-(4-phenylpiperazin-1-yl)propan-1-ol
SMILESCCC(O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N2O/c1-2-13(16)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChIKeySHSJRWFDPXXVIG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.54
Rot. Bonds3

About 1-(4-phenylpiperazin-1-yl)propan-1-ol

1-(4-phenylpiperazin-1-yl)propan-1-ol (PubChem CID 57202840) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)propan-1-ol
PubChem CID57202840
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(4-phenylpiperazin-1-yl)propan-1-ol
SMILESCCC(O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N2O/c1-2-13(16)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChIKeySHSJRWFDPXXVIG-UHFFFAOYSA-N
XLogP1.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylpiperazin-1-yl)propane-1,2-diol
CID 18784131
1-[4-(4-isothiocyanatophenyl)piperazin-1-yl]propan-1-ol
CID 142154004
N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 62423101
3-(4-phenylpiperazin-1-yl)butan-1-amine
CID 60914326
methyl 2-(4-phenylpiperazin-1-yl)pentanoate
CID 43906551
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
CID 82957492
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate
CID 102038565

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)propan-1-ol (CID 57202840) is 1-(4-phenylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)propan-1-ol is CCC(O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)propan-1-ol?
The InChIKey is SHSJRWFDPXXVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-13(16)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3.
What are the key properties of 1-(4-phenylpiperazin-1-yl)propan-1-ol?
1-(4-phenylpiperazin-1-yl)propan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 57202840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).