1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine

C27H31N3O — CID 10811697

IUPAC1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine
SMILESC(=C/c1cccnc1)\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H31N3O/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/h1-15,23,27H,16-22H2/b10-8+
InChIKeyYSAFNOWLHUYIBH-CSKARUKUSA-N
MW413.57 g/mol
LogP4.52
Rot. Bonds9

About 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine

1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine (PubChem CID 10811697) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine
PubChem CID10811697
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC Name1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine
SMILESC(=C/c1cccnc1)\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H31N3O/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/h1-15,23,27H,16-22H2/b10-8+
InChIKeyYSAFNOWLHUYIBH-CSKARUKUSA-N
XLogP4.52
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine
CID 10789674
1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine
CID 54531771
1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 12634871
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine;(Z)-but-2-enedioic acid
CID 70573063
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide
CID 10320217
2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol
CID 10647833
[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 755491
[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 2058853
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanenitrile;hydrochloride
CID 54584728

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine (CID 10811697) is 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine is C(=C/c1cccnc1)\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine?
The InChIKey is YSAFNOWLHUYIBH-CSKARUKUSA-N. The full InChI is InChI=1S/C27H31N3O/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/h1-15,23,27H,16-22H2/b10-8+.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine?
1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine has a molecular weight of 413.57 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine is sourced from PubChem (CID 10811697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).