1-benzyl-3-(phenylmethoxymethyl)piperazine

C19H24N2O — CID 53395029

IUPAC1-benzyl-3-(phenylmethoxymethyl)piperazine
SMILESc1ccc(COCC2CN(Cc3ccccc3)CCN2)cc1
InChIInChI=1S/C19H24N2O/c1-3-7-17(8-4-1)13-21-12-11-20-19(14-21)16-22-15-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyRDGPQHCJHZWORQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.68
Rot. Bonds6

About 1-benzyl-3-(phenylmethoxymethyl)piperazine

1-benzyl-3-(phenylmethoxymethyl)piperazine (PubChem CID 53395029) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-benzyl-3-(phenylmethoxymethyl)piperazine.

Molecular Properties

Compound Name1-benzyl-3-(phenylmethoxymethyl)piperazine
PubChem CID53395029
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-benzyl-3-(phenylmethoxymethyl)piperazine
SMILESc1ccc(COCC2CN(Cc3ccccc3)CCN2)cc1
InChIInChI=1S/C19H24N2O/c1-3-7-17(8-4-1)13-21-12-11-20-19(14-21)16-22-15-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyRDGPQHCJHZWORQ-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
1-benzyl-3-butylpiperazine
CID 19353079
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
CID 69486967
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane
CID 123685954

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(phenylmethoxymethyl)piperazine?
The IUPAC name of 1-benzyl-3-(phenylmethoxymethyl)piperazine (CID 53395029) is 1-benzyl-3-(phenylmethoxymethyl)piperazine.
What is the SMILES notation for 1-benzyl-3-(phenylmethoxymethyl)piperazine?
The canonical SMILES for 1-benzyl-3-(phenylmethoxymethyl)piperazine is c1ccc(COCC2CN(Cc3ccccc3)CCN2)cc1.
What is the InChIKey of 1-benzyl-3-(phenylmethoxymethyl)piperazine?
The InChIKey is RDGPQHCJHZWORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-7-17(8-4-1)13-21-12-11-20-19(14-21)16-22-15-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2.
What are the key properties of 1-benzyl-3-(phenylmethoxymethyl)piperazine?
1-benzyl-3-(phenylmethoxymethyl)piperazine has a molecular weight of 296.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(phenylmethoxymethyl)piperazine is sourced from PubChem (CID 53395029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).