1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride

C20H33ClN6O3 — CID 6603058

IUPAC1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
SMILESCCN1CCN(C(c2cc(OC)c(OC)c(OC)c2)c2nnnn2C(C)C)CC1.Cl
InChIInChI=1S/C20H32N6O3.ClH/c1-7-24-8-10-25(11-9-24)18(20-21-22-23-26(20)14(2)3)15-12-16(27-4)19(29-6)17(13-15)28-5;/h12-14,18H,7-11H2,1-6H3;1H
InChIKeyGTNHNUIERSKABA-UHFFFAOYSA-N
MW440.98 g/mol
LogP2.43
Rot. Bonds8

About 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride

1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride (PubChem CID 6603058) has the molecular formula C20H33ClN6O3 and a molecular weight of 440.98 g/mol. Its IUPAC name is 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
PubChem CID6603058
Molecular FormulaC20H33ClN6O3
Molecular Weight440.98 g/mol
Exact Mass440.23
IUPAC Name1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
SMILESCCN1CCN(C(c2cc(OC)c(OC)c(OC)c2)c2nnnn2C(C)C)CC1.Cl
InChIInChI=1S/C20H32N6O3.ClH/c1-7-24-8-10-25(11-9-24)18(20-21-22-23-26(20)14(2)3)15-12-16(27-4)19(29-6)17(13-15)28-5;/h12-14,18H,7-11H2,1-6H3;1H
InChIKeyGTNHNUIERSKABA-UHFFFAOYSA-N
XLogP2.43
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride with MolForge

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Related Compounds

1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclohexyl-piperazine
CID 645920
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-4-methyl-piperidine
CID 646517
1-Benzo[1,3]dioxol-5-ylmethyl-4-[1-(1-benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazine
CID 649639
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclopentyl-piperazine
CID 6602633
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3,4-dimethoxy-phenyl)-methyl]-4-ethyl-piperazine
CID 6602654
1-Cyclopentyl-4-[(3,4-dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6603005
2-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(3,4-dimethoxy-phenyl)-methyl]-1,2,3,4-tetrahydro-isoquinoline
CID 6603025
1-({1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-1H-tetrazol-5-yl}-phenyl-methyl)-4-methyl-piperazine
CID 6603054
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(3,4,5-trimethoxy-phenyl)-methyl]-4-methyl-piperazine
CID 6603089
1-({1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-1H-tetrazol-5-yl}-phenyl-methyl)-4-ethyl-piperazine
CID 6603100
1-Cyclopentyl-4-[(4-methoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6603101

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride (CID 6603058) is 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride is CCN1CCN(C(c2cc(OC)c(OC)c(OC)c2)c2nnnn2C(C)C)CC1.Cl.
What is the InChIKey of 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
The InChIKey is GTNHNUIERSKABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O3.ClH/c1-7-24-8-10-25(11-9-24)18(20-21-22-23-26(20)14(2)3)15-12-16(27-4)19(29-6)17(13-15)28-5;/h12-14,18H,7-11H2,1-6H3;1H.
What are the key properties of 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride has a molecular weight of 440.98 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-propan-2-yltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 6603058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).