(2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol

C13H18N2O — CID 89227380

IUPAC(2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol
SMILESC=C1CN([C@@H](CO)c2ccccc2)CCN1
InChIInChI=1S/C13H18N2O/c1-11-9-15(8-7-14-11)13(10-16)12-5-3-2-4-6-12/h2-6,13-14,16H,1,7-10H2/t13-/m0/s1
InChIKeyHWDUBXBZDHEDJZ-ZDUSSCGKSA-N
MW218.30 g/mol
LogP1.14
Rot. Bonds3

About (2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol

(2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol (PubChem CID 89227380) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol
PubChem CID89227380
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol
SMILESC=C1CN([C@@H](CO)c2ccccc2)CCN1
InChIInChI=1S/C13H18N2O/c1-11-9-15(8-7-14-11)13(10-16)12-5-3-2-4-6-12/h2-6,13-14,16H,1,7-10H2/t13-/m0/s1
InChIKeyHWDUBXBZDHEDJZ-ZDUSSCGKSA-N
XLogP1.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol?
The IUPAC name of (2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol (CID 89227380) is (2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol?
The canonical SMILES for (2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol is C=C1CN([C@@H](CO)c2ccccc2)CCN1.
What is the InChIKey of (2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol?
The InChIKey is HWDUBXBZDHEDJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11-9-15(8-7-14-11)13(10-16)12-5-3-2-4-6-12/h2-6,13-14,16H,1,7-10H2/t13-/m0/s1.
What are the key properties of (2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol?
(2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol has a molecular weight of 218.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol is sourced from PubChem (CID 89227380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).