1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine

C21H36N2O — CID 170863779

IUPAC1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine
SMILESCCCOc1ccc(CCCN2CCN(C)CC2)cc1C(C)CC
InChIInChI=1S/C21H36N2O/c1-5-16-24-21-10-9-19(17-20(21)18(3)6-2)8-7-11-23-14-12-22(4)13-15-23/h9-10,17-18H,5-8,11-16H2,1-4H3
InChIKeyZOLUQPTULCDALE-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.17
Rot. Bonds9

About 1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine

1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine (PubChem CID 170863779) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine
PubChem CID170863779
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine
SMILESCCCOc1ccc(CCCN2CCN(C)CC2)cc1C(C)CC
InChIInChI=1S/C21H36N2O/c1-5-16-24-21-10-9-19(17-20(21)18(3)6-2)8-7-11-23-14-12-22(4)13-15-23/h9-10,17-18H,5-8,11-16H2,1-4H3
InChIKeyZOLUQPTULCDALE-UHFFFAOYSA-N
XLogP4.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
CID 82153563
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
CID 170863803
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
1-[4-(4-bromo-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride
CID 2996696
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine (CID 170863779) is 1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine is CCCOc1ccc(CCCN2CCN(C)CC2)cc1C(C)CC.
What is the InChIKey of 1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine?
The InChIKey is ZOLUQPTULCDALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-5-16-24-21-10-9-19(17-20(21)18(3)6-2)8-7-11-23-14-12-22(4)13-15-23/h9-10,17-18H,5-8,11-16H2,1-4H3.
What are the key properties of 1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine?
1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine has a molecular weight of 332.53 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170863779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).