1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine

C30H32N2O — CID 10526930

IUPAC1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine
SMILESc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2O/c1-3-10-27(11-4-1)30(28-12-5-2-6-13-28)33-22-21-31-17-19-32(20-18-31)24-25-15-16-26-9-7-8-14-29(26)23-25/h1-16,23,30H,17-22,24H2
InChIKeyWTXOULSDKRPSGE-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.76
Rot. Bonds8

About 1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine

1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine (PubChem CID 10526930) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine
PubChem CID10526930
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine
SMILESc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2O/c1-3-10-27(11-4-1)30(28-12-5-2-6-13-28)33-22-21-31-17-19-32(20-18-31)24-25-15-16-26-9-7-8-14-29(26)23-25/h1-16,23,30H,17-22,24H2
InChIKeyWTXOULSDKRPSGE-UHFFFAOYSA-N
XLogP5.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine (CID 10526930) is 1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine is c1ccc(C(OCCN2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine?
The InChIKey is WTXOULSDKRPSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-3-10-27(11-4-1)30(28-12-5-2-6-13-28)33-22-21-31-17-19-32(20-18-31)24-25-15-16-26-9-7-8-14-29(26)23-25/h1-16,23,30H,17-22,24H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine?
1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine has a molecular weight of 436.60 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-(naphthalen-2-ylmethyl)piperazine is sourced from PubChem (CID 10526930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).