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

C25H35N3O — CID 10200614

IUPAC1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
SMILESCC(C)N1CCC(Oc2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C25H35N3O/c1-21(2)27-14-12-25(13-15-27)29-24-10-8-22(9-11-24)20-26-16-18-28(19-17-26)23-6-4-3-5-7-23/h3-11,21,25H,12-20H2,1-2H3
InChIKeyOZYQJQRDWKSBHB-UHFFFAOYSA-N
MW393.57 g/mol
LogP4.26
Rot. Bonds6

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

1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine (PubChem CID 10200614) has the molecular formula C25H35N3O and a molecular weight of 393.57 g/mol. Its IUPAC name is 1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
PubChem CID10200614
Molecular FormulaC25H35N3O
Molecular Weight393.57 g/mol
Exact Mass393.28
IUPAC Name1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
SMILESCC(C)N1CCC(Oc2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C25H35N3O/c1-21(2)27-14-12-25(13-15-27)29-24-10-8-22(9-11-24)20-26-16-18-28(19-17-26)23-6-4-3-5-7-23/h3-11,21,25H,12-20H2,1-2H3
InChIKeyOZYQJQRDWKSBHB-UHFFFAOYSA-N
XLogP4.26
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine?
The IUPAC name of 1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine (CID 10200614) is 1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine is CC(C)N1CCC(Oc2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1.
What is the InChIKey of 1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine?
The InChIKey is OZYQJQRDWKSBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-21(2)27-14-12-25(13-15-27)29-24-10-8-22(9-11-24)20-26-16-18-28(19-17-26)23-6-4-3-5-7-23/h3-11,21,25H,12-20H2,1-2H3.
What are the key properties of 1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine?
1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine has a molecular weight of 393.57 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine is sourced from PubChem (CID 10200614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).