(1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol

C19H24N2O — CID 71458565

IUPAC(1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol
SMILESO[C@@H](CCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H24N2O/c22-19(17-7-3-1-4-8-17)11-12-20-13-15-21(16-14-20)18-9-5-2-6-10-18/h1-10,19,22H,11-16H2/t19-/m0/s1
InChIKeyNVLCVVRIEJYTIG-IBGZPJMESA-N
MW296.41 g/mol
LogP2.93
Rot. Bonds5

About (1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol

(1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol (PubChem CID 71458565) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol
PubChem CID71458565
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol
SMILESO[C@@H](CCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H24N2O/c22-19(17-7-3-1-4-8-17)11-12-20-13-15-21(16-14-20)18-9-5-2-6-10-18/h1-10,19,22H,11-16H2/t19-/m0/s1
InChIKeyNVLCVVRIEJYTIG-IBGZPJMESA-N
XLogP2.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol?
The IUPAC name of (1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol (CID 71458565) is (1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for (1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for (1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol is O[C@@H](CCN1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol?
The InChIKey is NVLCVVRIEJYTIG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N2O/c22-19(17-7-3-1-4-8-17)11-12-20-13-15-21(16-14-20)18-9-5-2-6-10-18/h1-10,19,22H,11-16H2/t19-/m0/s1.
What are the key properties of (1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol?
(1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 71458565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).