1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride

C24H28ClN3O — CID 120754776

IUPAC1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.c1ccc(C(OCCN2CCNCC2c2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O.ClH/c1-3-8-20(9-4-1)24(21-10-5-2-6-11-21)28-17-16-27-15-14-26-19-23(27)22-12-7-13-25-18-22;/h1-13,18,23-24,26H,14-17,19H2;1H
InChIKeyZBLDZFBIYSAODA-UHFFFAOYSA-N
MW409.96 g/mol
LogP4.26
Rot. Bonds7

About 1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride

1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120754776) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120754776
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.c1ccc(C(OCCN2CCNCC2c2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O.ClH/c1-3-8-20(9-4-1)24(21-10-5-2-6-11-21)28-17-16-27-15-14-26-19-23(27)22-12-7-13-25-18-22;/h1-13,18,23-24,26H,14-17,19H2;1H
InChIKeyZBLDZFBIYSAODA-UHFFFAOYSA-N
XLogP4.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755613
N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline
CID 120756006
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754736
1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120756020
4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 120755301
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride (CID 120754776) is 1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride is Cl.c1ccc(C(OCCN2CCNCC2c2cccnc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is ZBLDZFBIYSAODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O.ClH/c1-3-8-20(9-4-1)24(21-10-5-2-6-11-21)28-17-16-27-15-14-26-19-23(27)22-12-7-13-25-18-22;/h1-13,18,23-24,26H,14-17,19H2;1H.
What are the key properties of 1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride?
1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120754776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).