(3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine

C19H30N2O2 — CID 58188990

IUPAC(3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine
SMILESCOc1ccc(N2CCN[C@@H](CC(C)C)C2)cc1OC1CCC1
InChIInChI=1S/C19H30N2O2/c1-14(2)11-15-13-21(10-9-20-15)16-7-8-18(22-3)19(12-16)23-17-5-4-6-17/h7-8,12,14-15,17,20H,4-6,9-11,13H2,1-3H3/t15-/m0/s1
InChIKeyFMKCGLXICMDYMX-HNNXBMFYSA-N
MW318.46 g/mol
LogP3.45
Rot. Bonds6

About (3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine

(3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine (PubChem CID 58188990) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name(3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine
PubChem CID58188990
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine
SMILESCOc1ccc(N2CCN[C@@H](CC(C)C)C2)cc1OC1CCC1
InChIInChI=1S/C19H30N2O2/c1-14(2)11-15-13-21(10-9-20-15)16-7-8-18(22-3)19(12-16)23-17-5-4-6-17/h7-8,12,14-15,17,20H,4-6,9-11,13H2,1-3H3/t15-/m0/s1
InChIKeyFMKCGLXICMDYMX-HNNXBMFYSA-N
XLogP3.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of (3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine (CID 58188990) is (3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for (3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for (3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine is COc1ccc(N2CCN[C@@H](CC(C)C)C2)cc1OC1CCC1.
What is the InChIKey of (3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is FMKCGLXICMDYMX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)11-15-13-21(10-9-20-15)16-7-8-18(22-3)19(12-16)23-17-5-4-6-17/h7-8,12,14-15,17,20H,4-6,9-11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine?
(3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine has a molecular weight of 318.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 58188990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).