2-(4-benzhydrylpiperazin-1-yl)acetic acid

C19H22N2O2 — CID 4741586

IUPAC2-(4-benzhydrylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c22-18(23)15-20-11-13-21(14-12-20)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,22,23)
InChIKeyYCKSFFKKEWTLIZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-benzhydrylpiperazin-1-yl)acetic acid

2-(4-benzhydrylpiperazin-1-yl)acetic acid (PubChem CID 4741586) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)acetic acid
PubChem CID4741586
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c22-18(23)15-20-11-13-21(14-12-20)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,22,23)
InChIKeyYCKSFFKKEWTLIZ-UHFFFAOYSA-N
XLogP2.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)acetic acid (CID 4741586) is 2-(4-benzhydrylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)acetic acid is O=C(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)acetic acid?
The InChIKey is YCKSFFKKEWTLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18(23)15-20-11-13-21(14-12-20)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,22,23).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)acetic acid?
2-(4-benzhydrylpiperazin-1-yl)acetic acid has a molecular weight of 310.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 4741586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).