1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

C18H26N6O2 — CID 3209523

IUPAC1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3nnnn3CC3CCCO3)CC2)cc1
InChIInChI=1S/C18H26N6O2/c1-25-16-6-4-15(5-7-16)23-10-8-22(9-11-23)14-18-19-20-21-24(18)13-17-3-2-12-26-17/h4-7,17H,2-3,8-14H2,1H3
InChIKeyANTRQJLZQXTCHZ-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.18
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3209523) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID3209523
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3nnnn3CC3CCCO3)CC2)cc1
InChIInChI=1S/C18H26N6O2/c1-25-16-6-4-15(5-7-16)23-10-8-22(9-11-23)14-18-19-20-21-24(18)13-17-3-2-12-26-17/h4-7,17H,2-3,8-14H2,1H3
InChIKeyANTRQJLZQXTCHZ-UHFFFAOYSA-N
XLogP1.18
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209522
1-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
CID 861301
1-(4-methoxyphenyl)-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388741
1-[(3,4-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 3209594
1-(4-methoxyphenyl)-4-[(1R)-3-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazin-4-ium
CID 7388995
1-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 3209614
1-(4-methoxyphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 1449048
1-(4-methoxyphenyl)-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazin-4-ium
CID 7388917
7-methoxy-3-[(S)-[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1145974
7-methoxy-3-[(S)-[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1145977
3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1148073
3-[[4-(4-methoxyphenyl)piperazin-1-yl]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3176934

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 3209523) is 1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is COc1ccc(N2CCN(Cc3nnnn3CC3CCCO3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is ANTRQJLZQXTCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-25-16-6-4-15(5-7-16)23-10-8-22(9-11-23)14-18-19-20-21-24(18)13-17-3-2-12-26-17/h4-7,17H,2-3,8-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 358.45 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).