1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine

C19H30N2O2 — CID 170863354

IUPAC1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccccc2OC2CCOCC2)CC1
InChIInChI=1S/C19H30N2O2/c1-20-11-13-21(14-12-20)10-4-6-17-5-2-3-7-19(17)23-18-8-15-22-16-9-18/h2-3,5,7,18H,4,6,8-16H2,1H3
InChIKeyHBXOFMOCPSRYBJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.42
Rot. Bonds6

About 1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine

1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine (PubChem CID 170863354) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine
PubChem CID170863354
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccccc2OC2CCOCC2)CC1
InChIInChI=1S/C19H30N2O2/c1-20-11-13-21(14-12-20)10-4-6-17-5-2-3-7-19(17)23-18-8-15-22-16-9-18/h2-3,5,7,18H,4,6,8-16H2,1H3
InChIKeyHBXOFMOCPSRYBJ-UHFFFAOYSA-N
XLogP2.42
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
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CID 170870157
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
CID 170862374
[2-(oxan-4-yloxy)phenyl]methanol
CID 22932192
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine
CID 25115343

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine (CID 170863354) is 1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine is CN1CCN(CCCc2ccccc2OC2CCOCC2)CC1.
What is the InChIKey of 1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine?
The InChIKey is HBXOFMOCPSRYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-20-11-13-21(14-12-20)10-4-6-17-5-2-3-7-19(17)23-18-8-15-22-16-9-18/h2-3,5,7,18H,4,6,8-16H2,1H3.
What are the key properties of 1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine?
1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine has a molecular weight of 318.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine is sourced from PubChem (CID 170863354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).