1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride

C17H26ClFN6O — CID 171667970

IUPAC1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCCN1CCN(C(c2ccc(F)cc2)c2nnnn2CCOC)CC1.Cl
InChIInChI=1S/C17H25FN6O.ClH/c1-3-22-8-10-23(11-9-22)16(14-4-6-15(18)7-5-14)17-19-20-21-24(17)12-13-25-2;/h4-7,16H,3,8-13H2,1-2H3;1H
InChIKeyNMCMSQVLFPNSOD-UHFFFAOYSA-N
MW384.89 g/mol
LogP1.61
Rot. Bonds7

About 1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride

1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (PubChem CID 171667970) has the molecular formula C17H26ClFN6O and a molecular weight of 384.89 g/mol. Its IUPAC name is 1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
PubChem CID171667970
Molecular FormulaC17H26ClFN6O
Molecular Weight384.89 g/mol
Exact Mass384.18
IUPAC Name1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCCN1CCN(C(c2ccc(F)cc2)c2nnnn2CCOC)CC1.Cl
InChIInChI=1S/C17H25FN6O.ClH/c1-3-22-8-10-23(11-9-22)16(14-4-6-15(18)7-5-14)17-19-20-21-24(17)12-13-25-2;/h4-7,16H,3,8-13H2,1-2H3;1H
InChIKeyNMCMSQVLFPNSOD-UHFFFAOYSA-N
XLogP1.61
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685851
1-ethyl-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 3209372
1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 7388479
1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 7388443
1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7391642
1-ethyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 171669823
2-[(S)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 7382969
4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 7383157
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3209274
1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3209292
1-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 7391596
1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209548

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (CID 171667970) is 1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is CCN1CCN(C(c2ccc(F)cc2)c2nnnn2CCOC)CC1.Cl.
What is the InChIKey of 1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The InChIKey is NMCMSQVLFPNSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6O.ClH/c1-3-22-8-10-23(11-9-22)16(14-4-6-15(18)7-5-14)17-19-20-21-24(17)12-13-25-2;/h4-7,16H,3,8-13H2,1-2H3;1H.
What are the key properties of 1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride has a molecular weight of 384.89 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171667970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).