1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol

C30H32N2O2 — CID 10694946

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol
SMILESOC(COc1cccc2ccccc12)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H32N2O2/c33-27(23-34-29-17-9-15-24-10-7-8-16-28(24)29)22-31-18-20-32(21-19-31)30(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-17,27,30,33H,18-23H2
InChIKeyHCAARZRRSRHWTD-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.99
Rot. Bonds8

About 1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol

1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 10694946) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol
PubChem CID10694946
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol
SMILESOC(COc1cccc2ccccc12)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H32N2O2/c33-27(23-34-29-17-9-15-24-10-7-8-16-28(24)29)22-31-18-20-32(21-19-31)30(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-17,27,30,33H,18-23H2
InChIKeyHCAARZRRSRHWTD-UHFFFAOYSA-N
XLogP4.99
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol (CID 10694946) is 1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol is OC(COc1cccc2ccccc12)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is HCAARZRRSRHWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2/c33-27(23-34-29-17-9-15-24-10-7-8-16-28(24)29)22-31-18-20-32(21-19-31)30(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-17,27,30,33H,18-23H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol?
1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 452.60 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 10694946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).