1-(2-benzhydryloxyethyl)piperazine chloride

C19H24ClN2O- — CID 53314194

IUPAC1-(2-benzhydryloxyethyl)piperazine chloride
SMILES[Cl-].c1ccc(C(OCCN2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O.ClH/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)22-16-15-21-13-11-20-12-14-21;/h1-10,19-20H,11-16H2;1H/p-1
InChIKeyADIBXFNNLLUZST-UHFFFAOYSA-M
MW331.87 g/mol
LogP-0.30
Rot. Bonds6

About 1-(2-benzhydryloxyethyl)piperazine chloride

1-(2-benzhydryloxyethyl)piperazine chloride (PubChem CID 53314194) has the molecular formula C19H24ClN2O- and a molecular weight of 331.87 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)piperazine chloride.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)piperazine chloride
PubChem CID53314194
Molecular FormulaC19H24ClN2O-
Molecular Weight331.87 g/mol
Exact Mass331.16
IUPAC Name1-(2-benzhydryloxyethyl)piperazine chloride
SMILES[Cl-].c1ccc(C(OCCN2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O.ClH/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)22-16-15-21-13-11-20-12-14-21;/h1-10,19-20H,11-16H2;1H/p-1
InChIKeyADIBXFNNLLUZST-UHFFFAOYSA-M
XLogP-0.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
CID 10338239
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanenitrile;hydrochloride
CID 54584728
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine
CID 11222141
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
2-[1-(2-benzhydryloxyethyl)piperidin-4-ylidene]acetic acid
CID 67946514
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine
CID 24825327
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)piperazine chloride?
The IUPAC name of 1-(2-benzhydryloxyethyl)piperazine chloride (CID 53314194) is 1-(2-benzhydryloxyethyl)piperazine chloride.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)piperazine chloride?
The canonical SMILES for 1-(2-benzhydryloxyethyl)piperazine chloride is [Cl-].c1ccc(C(OCCN2CCNCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)piperazine chloride?
The InChIKey is ADIBXFNNLLUZST-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H24N2O.ClH/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)22-16-15-21-13-11-20-12-14-21;/h1-10,19-20H,11-16H2;1H/p-1.
What are the key properties of 1-(2-benzhydryloxyethyl)piperazine chloride?
1-(2-benzhydryloxyethyl)piperazine chloride has a molecular weight of 331.87 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)piperazine chloride is sourced from PubChem (CID 53314194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).