2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid

C16H22N2O2 — CID 117438634

IUPAC2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C16H22N2O2/c19-15(20)11-16(5-6-16)14-3-1-13(2-4-14)12-18-9-7-17-8-10-18/h1-4,17H,5-12H2,(H,19,20)
InChIKeyKPFPXZAAEFZKES-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.60
Rot. Bonds5

About 2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid

2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid (PubChem CID 117438634) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
PubChem CID117438634
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C16H22N2O2/c19-15(20)11-16(5-6-16)14-3-1-13(2-4-14)12-18-9-7-17-8-10-18/h1-4,17H,5-12H2,(H,19,20)
InChIKeyKPFPXZAAEFZKES-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid
CID 117466059
1-[[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]methyl]piperazine
CID 117111656
[1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine
CID 117403046
4-[4-(piperazin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octane
CID 117459996
N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide
CID 71111619
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
CID 117487334
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]amino]acetic acid
CID 101188136
2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid
CID 117379200
acetic acid;2-[4-(1,4-diazepan-1-ylmethyl)phenyl]acetic acid
CID 154911280
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid (CID 117438634) is 2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2ccc(CN3CCNCC3)cc2)CC1.
What is the InChIKey of 2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid?
The InChIKey is KPFPXZAAEFZKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(20)11-16(5-6-16)14-3-1-13(2-4-14)12-18-9-7-17-8-10-18/h1-4,17H,5-12H2,(H,19,20).
What are the key properties of 2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid?
2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid has a molecular weight of 274.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117438634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).