1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine

C20H33N3O — CID 10131633

IUPAC1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
SMILESCC(C)N1CCC(Oc2ccc(CN3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C20H33N3O/c1-17(2)23-10-8-20(9-11-23)24-19-6-4-18(5-7-19)16-22-14-12-21(3)13-15-22/h4-7,17,20H,8-16H2,1-3H3
InChIKeyVECSKFSGEBXSKE-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.69
Rot. Bonds5

About 1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine

1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine (PubChem CID 10131633) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
PubChem CID10131633
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
SMILESCC(C)N1CCC(Oc2ccc(CN3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C20H33N3O/c1-17(2)23-10-8-20(9-11-23)24-19-6-4-18(5-7-19)16-22-14-12-21(3)13-15-22/h4-7,17,20H,8-16H2,1-3H3
InChIKeyVECSKFSGEBXSKE-UHFFFAOYSA-N
XLogP2.69
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine (CID 10131633) is 1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine is CC(C)N1CCC(Oc2ccc(CN3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine?
The InChIKey is VECSKFSGEBXSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-17(2)23-10-8-20(9-11-23)24-19-6-4-18(5-7-19)16-22-14-12-21(3)13-15-22/h4-7,17,20H,8-16H2,1-3H3.
What are the key properties of 1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine?
1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine has a molecular weight of 331.50 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine is sourced from PubChem (CID 10131633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).