4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline

C24H32FN7 — CID 3208928

IUPAC4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H32FN7/c1-24(2,3)32-23(26-27-28-32)22(18-6-10-20(11-7-18)29(4)5)31-16-14-30(15-17-31)21-12-8-19(25)9-13-21/h6-13,22H,14-17H2,1-5H3
InChIKeyVEHIUTCVAGQHID-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.54
Rot. Bonds5

About 4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline

4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline (PubChem CID 3208928) has the molecular formula C24H32FN7 and a molecular weight of 437.57 g/mol. Its IUPAC name is 4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
PubChem CID3208928
Molecular FormulaC24H32FN7
Molecular Weight437.57 g/mol
Exact Mass437.27
IUPAC Name4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H32FN7/c1-24(2,3)32-23(26-27-28-32)22(18-6-10-20(11-7-18)29(4)5)31-16-14-30(15-17-31)21-12-8-19(25)9-13-21/h6-13,22H,14-17H2,1-5H3
InChIKeyVEHIUTCVAGQHID-UHFFFAOYSA-N
XLogP3.54
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-tert-butyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208953
1-[(1-tert-butyltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208992
1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208909
1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine
CID 3193511
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443850
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine
CID 1443711
4-[(S)-(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N,N-dimethylaniline
CID 1433666
1-[(R)-(1-tert-butyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1443998
1-[(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208971
1-[(S)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1444054
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazin-1-ium
CID 7384096

Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline (CID 3208928) is 4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
The InChIKey is VEHIUTCVAGQHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN7/c1-24(2,3)32-23(26-27-28-32)22(18-6-10-20(11-7-18)29(4)5)31-16-14-30(15-17-31)21-12-8-19(25)9-13-21/h6-13,22H,14-17H2,1-5H3.
What are the key properties of 4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline has a molecular weight of 437.57 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 3208928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).