1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine

C17H25ClN6O — CID 51685851

IUPAC1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
SMILESCCN1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2CCOC)CC1
InChIInChI=1S/C17H25ClN6O/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/t16-/m0/s1
InChIKeySYHOEOMNKUBGTC-INIZCTEOSA-N
MW364.88 g/mol
LogP1.70
Rot. Bonds7

About 1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine

1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine (PubChem CID 51685851) has the molecular formula C17H25ClN6O and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
PubChem CID51685851
Molecular FormulaC17H25ClN6O
Molecular Weight364.88 g/mol
Exact Mass364.18
IUPAC Name1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
SMILESCCN1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2CCOC)CC1
InChIInChI=1S/C17H25ClN6O/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/t16-/m0/s1
InChIKeySYHOEOMNKUBGTC-INIZCTEOSA-N
XLogP1.70
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171667970
1-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 7391596
1-ethyl-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 3209372
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3209274
1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7391642
2-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 7383007
(8aS)-2-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 7140758
4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 7383157
1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 3210088
1-benzyl-4-[(S)-(4-ethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 51625692
[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 24792379
1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448688

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine (CID 51685851) is 1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine is CCN1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2CCOC)CC1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
The InChIKey is SYHOEOMNKUBGTC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25ClN6O/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/t16-/m0/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine has a molecular weight of 364.88 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine is sourced from PubChem (CID 51685851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).