[3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol

C20H24N2O — CID 90930409

IUPAC[3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1cccc(N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C20H24N2O/c23-20(16-5-2-1-3-6-16)17-7-4-8-19(15-17)22-13-11-21(12-14-22)18-9-10-18/h1-8,15,18,20,23H,9-14H2
InChIKeyCDTVHABTGRISAD-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.05
Rot. Bonds4

About [3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol

[3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol (PubChem CID 90930409) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol
PubChem CID90930409
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1cccc(N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C20H24N2O/c23-20(16-5-2-1-3-6-16)17-7-4-8-19(15-17)22-13-11-21(12-14-22)18-9-10-18/h1-8,15,18,20,23H,9-14H2
InChIKeyCDTVHABTGRISAD-UHFFFAOYSA-N
XLogP3.05
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol?
The IUPAC name of [3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol (CID 90930409) is [3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol.
What is the SMILES notation for [3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol?
The canonical SMILES for [3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol is OC(c1ccccc1)c1cccc(N2CCN(C3CC3)CC2)c1.
What is the InChIKey of [3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol?
The InChIKey is CDTVHABTGRISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(16-5-2-1-3-6-16)17-7-4-8-19(15-17)22-13-11-21(12-14-22)18-9-10-18/h1-8,15,18,20,23H,9-14H2.
What are the key properties of [3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol?
[3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol has a molecular weight of 308.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol is sourced from PubChem (CID 90930409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).