2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol

C25H29N3O — CID 134588732

IUPAC2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc(NC(c3ccccc3)c3ccccc3)c2)CC1
InChIInChI=1S/C25H29N3O/c29-19-18-27-14-16-28(17-15-27)24-13-7-12-23(20-24)26-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25-26,29H,14-19H2
InChIKeyDACTZKXSJBNMIC-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.00
Rot. Bonds7

About 2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol

2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol (PubChem CID 134588732) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol
PubChem CID134588732
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc(NC(c3ccccc3)c3ccccc3)c2)CC1
InChIInChI=1S/C25H29N3O/c29-19-18-27-14-16-28(17-15-27)24-13-7-12-23(20-24)26-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25-26,29H,14-19H2
InChIKeyDACTZKXSJBNMIC-UHFFFAOYSA-N
XLogP4.00
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline
CID 134588844
2-(benzhydrylamino)-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzonitrile
CID 134588910
N-benzhydryl-3-[4-(1-fluoroethyl)piperazin-1-yl]aniline
CID 134588702
2-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]ethanol
CID 2906270
2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol
CID 11972047
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide
CID 47487849
3-N-benzhydrylbenzene-1,3-diamine
CID 43344281
2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol
CID 82214228
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
N-benzhydryl-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-(trifluoromethyl)aniline
CID 134588857
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol (CID 134588732) is 2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol is OCCN1CCN(c2cccc(NC(c3ccccc3)c3ccccc3)c2)CC1.
What is the InChIKey of 2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol?
The InChIKey is DACTZKXSJBNMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c29-19-18-27-14-16-28(17-15-27)24-13-7-12-23(20-24)26-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25-26,29H,14-19H2.
What are the key properties of 2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol?
2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol has a molecular weight of 387.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 134588732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).