1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine

C18H26N6O2 — CID 55551241

IUPAC1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3nnnn3C3CC3)CC2)cc1OC
InChIInChI=1S/C18H26N6O2/c1-25-16-6-3-14(11-17(16)26-2)12-22-7-9-23(10-8-22)13-18-19-20-21-24(18)15-4-5-15/h3,6,11,15H,4-5,7-10,12-13H2,1-2H3
InChIKeyHLMTZHDIGCBQEU-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.34
Rot. Bonds7

About 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine

1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 55551241) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine
PubChem CID55551241
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3nnnn3C3CC3)CC2)cc1OC
InChIInChI=1S/C18H26N6O2/c1-25-16-6-3-14(11-17(16)26-2)12-22-7-9-23(10-8-22)13-18-19-20-21-24(18)15-4-5-15/h3,6,11,15H,4-5,7-10,12-13H2,1-2H3
InChIKeyHLMTZHDIGCBQEU-UHFFFAOYSA-N
XLogP1.34
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 43052578
1-benzyl-4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]piperazine
CID 3210595
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60677001
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 652756
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 37268796
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
1-[(4-hydroperoxy-3-methoxyphenyl)methyl]-4-methylpiperidine
CID 143148512

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine (CID 55551241) is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(Cc3nnnn3C3CC3)CC2)cc1OC.
What is the InChIKey of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is HLMTZHDIGCBQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-25-16-6-3-14(11-17(16)26-2)12-22-7-9-23(10-8-22)13-18-19-20-21-24(18)15-4-5-15/h3,6,11,15H,4-5,7-10,12-13H2,1-2H3.
What are the key properties of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 358.45 g/mol, XLogP of 1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 55551241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).