1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine

C27H33N3O — CID 10669551

IUPAC1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine
SMILESc1ccc(C(OCCN2CCN(CCCc3cccnc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H33N3O/c1-3-11-25(12-4-1)27(26-13-5-2-6-14-26)31-22-21-30-19-17-29(18-20-30)16-8-10-24-9-7-15-28-23-24/h1-7,9,11-15,23,27H,8,10,16-22H2
InChIKeyVCHSJEANIBYJLS-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.44
Rot. Bonds10

About 1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine

1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine (PubChem CID 10669551) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine
PubChem CID10669551
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC Name1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine
SMILESc1ccc(C(OCCN2CCN(CCCc3cccnc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H33N3O/c1-3-11-25(12-4-1)27(26-13-5-2-6-14-26)31-22-21-30-19-17-29(18-20-30)16-8-10-24-9-7-15-28-23-24/h1-7,9,11-15,23,27H,8,10,16-22H2
InChIKeyVCHSJEANIBYJLS-UHFFFAOYSA-N
XLogP4.44
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Doxylamine
CID 3162
2-Morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11710246
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CID 5303332
1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
[4-(2-Benzhydryloxy-acetyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10433384
2-((2-Methoxyethyl)(methyl)amino)-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11660563
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
3-((4-(Pyridin-3-yl)benzyl)oxy)azetidine-1-carbonitrile
CID 118524772
N-Desmethyldoxylamine
CID 135338
2-[4-(2-Phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 24784658
3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-pyridine
CID 10548223
3-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)quinoline
CID 10552447

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine (CID 10669551) is 1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine is c1ccc(C(OCCN2CCN(CCCc3cccnc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine?
The InChIKey is VCHSJEANIBYJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c1-3-11-25(12-4-1)27(26-13-5-2-6-14-26)31-22-21-30-19-17-29(18-20-30)16-8-10-24-9-7-15-28-23-24/h1-7,9,11-15,23,27H,8,10,16-22H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine?
1-(2-benzhydryloxyethyl)-4-(3-pyridin-3-ylpropyl)piperazine has a molecular weight of 415.58 g/mol, XLogP of 4.44, 10 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-pyridin-3-ylpropyl)piperazine is sourced from PubChem (CID 10669551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).