4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline

C19H33N7O+2 — CID 7388462

IUPAC4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
SMILESCC[NH+]1CC[NH+]([C@H](c2ccc(N(C)C)cc2)c2nnnn2CCOC)CC1
InChIInChI=1S/C19H31N7O/c1-5-24-10-12-25(13-11-24)18(16-6-8-17(9-7-16)23(2)3)19-20-21-22-26(19)14-15-27-4/h6-9,18H,5,10-15H2,1-4H3/p+2/t18-/m1/s1
InChIKeyNKKFHCUCWDGHRB-GOSISDBHSA-P
MW375.52 g/mol
LogP-1.72
Rot. Bonds8

About 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline

4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline (PubChem CID 7388462) has the molecular formula C19H33N7O+2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
PubChem CID7388462
Molecular FormulaC19H33N7O+2
Molecular Weight375.52 g/mol
Exact Mass375.27
IUPAC Name4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
SMILESCC[NH+]1CC[NH+]([C@H](c2ccc(N(C)C)cc2)c2nnnn2CCOC)CC1
InChIInChI=1S/C19H31N7O/c1-5-24-10-12-25(13-11-24)18(16-6-8-17(9-7-16)23(2)3)19-20-21-22-26(19)14-15-27-4/h6-9,18H,5,10-15H2,1-4H3/p+2/t18-/m1/s1
InChIKeyNKKFHCUCWDGHRB-GOSISDBHSA-P
XLogP-1.72
TPSA64.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(S)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-propylpiperazine-1,4-diium
CID 7140536
1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
CID 7391705
1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine-1,4-diium
CID 7391597
4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7140574
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
CID 7391551
1-[(R)-(4-ethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium
CID 7388484
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7391555
4-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-N,N-dimethylaniline
CID 7383081
1-[(S)-(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
CID 7396598
1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine-1,4-diium
CID 7396590
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7388386
2-[5-[(S)-[4-(dimethylamino)phenyl]-morpholin-4-ium-4-ylmethyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate
CID 6990936

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline (CID 7388462) is 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline is CC[NH+]1CC[NH+]([C@H](c2ccc(N(C)C)cc2)c2nnnn2CCOC)CC1.
What is the InChIKey of 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
The InChIKey is NKKFHCUCWDGHRB-GOSISDBHSA-P. The full InChI is InChI=1S/C19H31N7O/c1-5-24-10-12-25(13-11-24)18(16-6-8-17(9-7-16)23(2)3)19-20-21-22-26(19)14-15-27-4/h6-9,18H,5,10-15H2,1-4H3/p+2/t18-/m1/s1.
What are the key properties of 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline has a molecular weight of 375.52 g/mol, XLogP of -1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 7388462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).