1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine

C16H26N2O — CID 175628874

IUPAC1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
SMILESCOc1ccc(CCN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O/c1-14(2)18-12-10-17(11-13-18)9-8-15-4-6-16(19-3)7-5-15/h4-7,14H,8-13H2,1-3H3
InChIKeySCFMCISGOXELEA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine

1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine (PubChem CID 175628874) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
PubChem CID175628874
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
SMILESCOc1ccc(CCN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O/c1-14(2)18-12-10-17(11-13-18)9-8-15-4-6-16(19-3)7-5-15/h4-7,14H,8-13H2,1-3H3
InChIKeySCFMCISGOXELEA-UHFFFAOYSA-N
XLogP2.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide
CID 94797572
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol
CID 111497039
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
3-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65431024
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30738398
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
8-[2-(4-methoxyphenyl)ethyl]-8-aza-5-azoniaspiro[4.5]decane bromide
CID 24758718
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 43585070

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine (CID 175628874) is 1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine is COc1ccc(CCN2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine?
The InChIKey is SCFMCISGOXELEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(2)18-12-10-17(11-13-18)9-8-15-4-6-16(19-3)7-5-15/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine?
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 175628874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).