1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid

C17H24N2O2 — CID 117466052

IUPAC1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N1CCN(c2ccc(C3(C(=O)O)CC3)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13(2)18-9-11-19(12-10-18)15-5-3-14(4-6-15)17(7-8-17)16(20)21/h3-6,13H,7-12H2,1-2H3,(H,20,21)
InChIKeyIHNFAVIYDDLGGU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.33
Rot. Bonds4

About 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117466052) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117466052
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N1CCN(c2ccc(C3(C(=O)O)CC3)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13(2)18-9-11-19(12-10-18)15-5-3-14(4-6-15)17(7-8-17)16(20)21/h3-6,13H,7-12H2,1-2H3,(H,20,21)
InChIKeyIHNFAVIYDDLGGU-UHFFFAOYSA-N
XLogP2.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid
CID 112558554
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine
CID 117403011
2-amino-5-(4-propan-2-ylpiperazin-1-yl)benzoic acid
CID 60989507
(E)-3-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid
CID 43585529
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 112557964
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 68506569
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
CID 119367760

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid (CID 117466052) is 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid is CC(C)N1CCN(c2ccc(C3(C(=O)O)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is IHNFAVIYDDLGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)18-9-11-19(12-10-18)15-5-3-14(4-6-15)17(7-8-17)16(20)21/h3-6,13H,7-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117466052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).