1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine

C29H36N2O2 — CID 10789465

IUPAC1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
SMILESCOc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H36N2O2/c1-32-28-17-9-8-11-25(28)16-10-18-30-19-21-31(22-20-30)23-24-33-29(26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-9,11-15,17,29H,10,16,18-24H2,1H3
InChIKeyRSSFEFAHSOYPIM-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.05
Rot. Bonds11

About 1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine

1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine (PubChem CID 10789465) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
PubChem CID10789465
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC Name1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
SMILESCOc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H36N2O2/c1-32-28-17-9-8-11-25(28)16-10-18-30-19-21-31(22-20-30)23-24-33-29(26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-9,11-15,17,29H,10,16,18-24H2,1H3
InChIKeyRSSFEFAHSOYPIM-UHFFFAOYSA-N
XLogP5.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benproperine
CID 2326
Fomocaine
CID 71693
UK 78282
CID 656768
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
1-Benzyl-4-chroman-2-ylmethyl-piperazine
CID 10758200
4-[3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenol
CID 10504397
4-Benzyl-1-(2-phenoxyethyl)piperidine
CID 1328600
1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine
CID 44396220
N,N-dimethyl-3-phenyl-3-(4-(3-(piperidin-1-yl)propoxy)phenoxy)propan-1-amine
CID 24948507
2-(3-Methoxyphenyl)-4-propylmorpholine
CID 15006482
1-Methyl-3-(2-(4-(3-methoxyphenyl)butyl)phenoxymethyl)piperidine
CID 10001250
4-[2-(2-Benzyl-phenoxy)-ethyl]-morpholine
CID 2993172

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine (CID 10789465) is 1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine is COc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine?
The InChIKey is RSSFEFAHSOYPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-32-28-17-9-8-11-25(28)16-10-18-30-19-21-31(22-20-30)23-24-33-29(26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-9,11-15,17,29H,10,16,18-24H2,1H3.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine?
1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine has a molecular weight of 444.62 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-[3-(2-methoxyphenyl)propyl]piperazine is sourced from PubChem (CID 10789465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).