5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine

C18H28N2O — CID 64946388

IUPAC5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine
SMILESCOCC(C)CN1CC(C2CC2)NCC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-14(13-21-2)11-20-12-17(15-8-9-15)19-10-18(20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3
InChIKeyNFQXAEGHHMOUPT-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.69
Rot. Bonds6

About 5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine

5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine (PubChem CID 64946388) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine
PubChem CID64946388
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine
SMILESCOCC(C)CN1CC(C2CC2)NCC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-14(13-21-2)11-20-12-17(15-8-9-15)19-10-18(20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3
InChIKeyNFQXAEGHHMOUPT-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-phenyl-1-propylpiperazine
CID 64860711
5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine
CID 104766324
5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine
CID 64941267
5-cyclopropyl-1-(cyclopropylmethyl)-2-phenylpiperazine
CID 64860134
5-cyclopropyl-2-ethyl-1-(3-methoxy-2-methylpropyl)piperazine
CID 64946387
5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine
CID 116645559
5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine
CID 64934608
5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine
CID 104830214
5-cyclopropyl-1-(2,2-dimethylcyclopropyl)-2-phenylpiperazine
CID 64945602
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
CID 64846136
1-(4-methoxybutan-2-yl)-5-methyl-2-phenylpiperazine
CID 64936696
2-cyclopropyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64876312

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine (CID 64946388) is 5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine is COCC(C)CN1CC(C2CC2)NCC1c1ccccc1.
What is the InChIKey of 5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine?
The InChIKey is NFQXAEGHHMOUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(13-21-2)11-20-12-17(15-8-9-15)19-10-18(20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine?
5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine is sourced from PubChem (CID 64946388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).