[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate

C18H26N2O2 — CID 170863719

IUPAC[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate
SMILESCN1CCN(CCCc2cccc(OC(=O)C3CC3)c2)CC1
InChIInChI=1S/C18H26N2O2/c1-19-10-12-20(13-11-19)9-3-5-15-4-2-6-17(14-15)22-18(21)16-7-8-16/h2,4,6,14,16H,3,5,7-13H2,1H3
InChIKeyMFTAVIVEQALYRY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.18
Rot. Bonds6

About [3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate

[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate (PubChem CID 170863719) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate
PubChem CID170863719
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate
SMILESCN1CCN(CCCc2cccc(OC(=O)C3CC3)c2)CC1
InChIInChI=1S/C18H26N2O2/c1-19-10-12-20(13-11-19)9-3-5-15-4-2-6-17(14-15)22-18(21)16-7-8-16/h2,4,6,14,16H,3,5,7-13H2,1H3
InChIKeyMFTAVIVEQALYRY-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229
methyl 3-[3-(4-methylpiperazin-1-yl)propyl]benzoate
CID 170862443
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
phenyl 1-(2-phenylethyl)piperidine-4-carboxylate
CID 102339946
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
CID 170862396
1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
CID 170863930
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
CID 91315329
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate?
The IUPAC name of [3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate (CID 170863719) is [3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate.
What is the SMILES notation for [3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate?
The canonical SMILES for [3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate is CN1CCN(CCCc2cccc(OC(=O)C3CC3)c2)CC1.
What is the InChIKey of [3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate?
The InChIKey is MFTAVIVEQALYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-10-12-20(13-11-19)9-3-5-15-4-2-6-17(14-15)22-18(21)16-7-8-16/h2,4,6,14,16H,3,5,7-13H2,1H3.
What are the key properties of [3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate?
[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate has a molecular weight of 302.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate is sourced from PubChem (CID 170863719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).