2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid

C15H20N2O2 — CID 79984509

IUPAC2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid
SMILESO=C(O)C(c1cccc(C2CC2)c1)N1CCNCC1
InChIInChI=1S/C15H20N2O2/c18-15(19)14(17-8-6-16-7-9-17)13-3-1-2-12(10-13)11-4-5-11/h1-3,10-11,14,16H,4-9H2,(H,18,19)
InChIKeyMHWFTCISAUHMMM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.59
Rot. Bonds4

About 2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid

2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid (PubChem CID 79984509) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid
PubChem CID79984509
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid
SMILESO=C(O)C(c1cccc(C2CC2)c1)N1CCNCC1
InChIInChI=1S/C15H20N2O2/c18-15(19)14(17-8-6-16-7-9-17)13-3-1-2-12(10-13)11-4-5-11/h1-3,10-11,14,16H,4-9H2,(H,18,19)
InChIKeyMHWFTCISAUHMMM-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-2-(3-cyclopropylphenyl)acetic acid
CID 79980420
2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
CID 79981052
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-(1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 54890579
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
2-piperazin-1-yl-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104754
2-(1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60994386
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-piperazin-1-yl-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148515
2-phenyl-2-piperazin-1-ylacetyl fluoride
CID 90420857

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid (CID 79984509) is 2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid is O=C(O)C(c1cccc(C2CC2)c1)N1CCNCC1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid?
The InChIKey is MHWFTCISAUHMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19)14(17-8-6-16-7-9-17)13-3-1-2-12(10-13)11-4-5-11/h1-3,10-11,14,16H,4-9H2,(H,18,19).
What are the key properties of 2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid?
2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid has a molecular weight of 260.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 79984509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).