2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine

C19H24N2O2 — CID 141061744

IUPAC2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine
SMILESCOc1ccc(CC2NCCNC2OCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-22-17-9-7-15(8-10-17)13-18-19(21-12-11-20-18)23-14-16-5-3-2-4-6-16/h2-10,18-21H,11-14H2,1H3
InChIKeyXHGVMTLWPQEISR-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.34
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine

2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine (PubChem CID 141061744) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine
PubChem CID141061744
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine
SMILESCOc1ccc(CC2NCCNC2OCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-22-17-9-7-15(8-10-17)13-18-19(21-12-11-20-18)23-14-16-5-3-2-4-6-16/h2-10,18-21H,11-14H2,1H3
InChIKeyXHGVMTLWPQEISR-UHFFFAOYSA-N
XLogP2.34
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
(1R,3S,4R,6R)-5-[(4-methoxyphenyl)methoxy]-2,4,6-tris(phenylmethoxy)cyclohexane-1,3-diol
CID 11071884
(1S,2R,3S,4S,5R)-2,3-bis[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)cyclopentane-1-carbaldehyde
CID 10579163
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
1-methoxy-4-[[(1S,2R,3R,4S,5S,6R)-2,3,6-tris(phenylmethoxy)-4,5-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 11966709
1-methoxy-4-[[(1R,2R,3S,4S,5R,6S)-2,4,5-tris(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 10604284
benzyl (2S,3R,4R)-3,4-dihydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 11610121
(1R,2R,3S,4R,5R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 11734590
dibenzyl [(1S,2S,3R,4R,5S,6R)-3-[(4-methoxyphenyl)methoxy]-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] phosphate
CID 11216804
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
[(2R,3R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] N-[[5-(phenylmethoxymethyl)-2H-triazol-4-yl]methyl]carbamate
CID 176952738

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine (CID 141061744) is 2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine is COc1ccc(CC2NCCNC2OCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine?
The InChIKey is XHGVMTLWPQEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-22-17-9-7-15(8-10-17)13-18-19(21-12-11-20-18)23-14-16-5-3-2-4-6-16/h2-10,18-21H,11-14H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine?
2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine has a molecular weight of 312.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine is sourced from PubChem (CID 141061744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).