1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol

C15H24N2O2 — CID 82074465

IUPAC1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc(C(O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-12-11-13(19-2)3-4-14(12)15(18)5-8-17-9-6-16-7-10-17/h3-4,11,15-16,18H,5-10H2,1-2H3
InChIKeyCDXVUNSKVZKWAJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.33
Rot. Bonds5

About 1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol

1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82074465) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82074465
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc(C(O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-12-11-13(19-2)3-4-14(12)15(18)5-8-17-9-6-16-7-10-17/h3-4,11,15-16,18H,5-10H2,1-2H3
InChIKeyCDXVUNSKVZKWAJ-UHFFFAOYSA-N
XLogP1.33
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82551176
1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 82263741
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 116504533
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560362
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol (CID 82074465) is 1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol is COc1ccc(C(O)CCN2CCNCC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is CDXVUNSKVZKWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-11-13(19-2)3-4-14(12)15(18)5-8-17-9-6-16-7-10-17/h3-4,11,15-16,18H,5-10H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82074465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).