1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine

C16H26N2O — CID 117411213

IUPAC1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
SMILESCOc1c(C)cc(CN2CCNCC2)cc1C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15-10-14(9-13(3)16(15)19-4)11-18-7-5-17-6-8-18/h9-10,12,17H,5-8,11H2,1-4H3
InChIKeyWLXOHZCVQXCHKW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds4

About 1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine

1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine (PubChem CID 117411213) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
PubChem CID117411213
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
SMILESCOc1c(C)cc(CN2CCNCC2)cc1C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15-10-14(9-13(3)16(15)19-4)11-18-7-5-17-6-8-18/h9-10,12,17H,5-8,11H2,1-4H3
InChIKeyWLXOHZCVQXCHKW-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine
CID 117374507
(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3878762
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol
CID 117353440
1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
CID 117458592
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
CID 82509242
1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine
CID 82296707
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine (CID 117411213) is 1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine is COc1c(C)cc(CN2CCNCC2)cc1C(C)C.
What is the InChIKey of 1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is WLXOHZCVQXCHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)15-10-14(9-13(3)16(15)19-4)11-18-7-5-17-6-8-18/h9-10,12,17H,5-8,11H2,1-4H3.
What are the key properties of 1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine?
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 117411213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).