(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol

C16H24N2O — CID 95322641

IUPAC(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-15(19)14-18-12-10-17(11-13-18)9-5-8-16-6-3-2-4-7-16/h2-8,15,19H,9-14H2,1H3/b8-5+/t15-/m1/s1
InChIKeyUGZQUESJJNOEBQ-SBJJXXPASA-N
MW260.38 g/mol
LogP1.70
Rot. Bonds5

About (2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol

(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol (PubChem CID 95322641) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
PubChem CID95322641
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-15(19)14-18-12-10-17(11-13-18)9-5-8-16-6-3-2-4-7-16/h2-8,15,19H,9-14H2,1H3/b8-5+/t15-/m1/s1
InChIKeyUGZQUESJJNOEBQ-SBJJXXPASA-N
XLogP1.70
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2845763
4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid
CID 166307772
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 1097693
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1378336

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol (CID 95322641) is (2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of (2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol?
The InChIKey is UGZQUESJJNOEBQ-SBJJXXPASA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(19)14-18-12-10-17(11-13-18)9-5-8-16-6-3-2-4-7-16/h2-8,15,19H,9-14H2,1H3/b8-5+/t15-/m1/s1.
What are the key properties of (2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95322641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).