2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid

C17H24N2O3 — CID 72895457

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(CO)cc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H24N2O3/c20-12-14-3-5-15(6-4-14)16(17(21)22)19-9-7-18(8-10-19)11-13-1-2-13/h3-6,13,16,20H,1-2,7-12H2,(H,21,22)
InChIKeyRUDQPBPMDVGYAI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.33
Rot. Bonds6

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid

2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid (PubChem CID 72895457) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid
PubChem CID72895457
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(CO)cc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H24N2O3/c20-12-14-3-5-15(6-4-14)16(17(21)22)19-9-7-18(8-10-19)11-13-1-2-13/h3-6,13,16,20H,1-2,7-12H2,(H,21,22)
InChIKeyRUDQPBPMDVGYAI-UHFFFAOYSA-N
XLogP1.33
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid (CID 72895457) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid is O=C(O)C(c1ccc(CO)cc1)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid?
The InChIKey is RUDQPBPMDVGYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-12-14-3-5-15(6-4-14)16(17(21)22)19-9-7-18(8-10-19)11-13-1-2-13/h3-6,13,16,20H,1-2,7-12H2,(H,21,22).
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid has a molecular weight of 304.39 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid is sourced from PubChem (CID 72895457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).