1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine

C16H24N2O — CID 94692817

IUPAC1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine
SMILESCCOc1ccc(C2(CN3CCNCC3)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-19-15-5-3-14(4-6-15)16(7-8-16)13-18-11-9-17-10-12-18/h3-6,17H,2,7-13H2,1H3
InChIKeyVCDPLLLWWBPGFS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.02
Rot. Bonds5

About 1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine

1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine (PubChem CID 94692817) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine
PubChem CID94692817
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine
SMILESCCOc1ccc(C2(CN3CCNCC3)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-19-15-5-3-14(4-6-15)16(7-8-16)13-18-11-9-17-10-12-18/h3-6,17H,2,7-13H2,1H3
InChIKeyVCDPLLLWWBPGFS-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine
CID 82129251
1-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine
CID 59837542
[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008279
1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
CID 43162465
1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine
CID 95457646
[4-(4-ethoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82087200
4-(4-ethoxyphenyl)piperidine-4-carbonitrile
CID 46941924
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine
CID 82132559
1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171287082
1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine
CID 116829817

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine?
The IUPAC name of 1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine (CID 94692817) is 1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine?
The canonical SMILES for 1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine is CCOc1ccc(C2(CN3CCNCC3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine?
The InChIKey is VCDPLLLWWBPGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-19-15-5-3-14(4-6-15)16(7-8-16)13-18-11-9-17-10-12-18/h3-6,17H,2,7-13H2,1H3.
What are the key properties of 1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine?
1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine has a molecular weight of 260.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine is sourced from PubChem (CID 94692817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).