1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine

C19H23FN6S — CID 51685873

IUPAC1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
SMILESCCN1CCN([C@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN6S/c1-2-24-9-11-25(12-10-24)18(17-4-3-13-27-17)19-21-22-23-26(19)14-15-5-7-16(20)8-6-15/h3-8,13,18H,2,9-12,14H2,1H3/t18-/m1/s1
InChIKeyRHNTXWMAOWIHMY-GOSISDBHSA-N
MW386.50 g/mol
LogP2.65
Rot. Bonds6

About 1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine

1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine (PubChem CID 51685873) has the molecular formula C19H23FN6S and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
PubChem CID51685873
Molecular FormulaC19H23FN6S
Molecular Weight386.50 g/mol
Exact Mass386.17
IUPAC Name1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
SMILESCCN1CCN([C@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN6S/c1-2-24-9-11-25(12-10-24)18(17-4-3-13-27-17)19-21-22-23-26(19)14-15-5-7-16(20)8-6-15/h3-8,13,18H,2,9-12,14H2,1H3/t18-/m1/s1
InChIKeyRHNTXWMAOWIHMY-GOSISDBHSA-N
XLogP2.65
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
CID 51685867
1-(4-fluorophenyl)-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 1438452
1-ethyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 171669823
4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine
CID 1432179
1-benzyl-4-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1448470
1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 3209891
1-benzyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171668525
1-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446661
3-[(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3182488
3-[(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3182735
1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
CID 43812335
3-[(R)-(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1159701

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine (CID 51685873) is 1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine is CCN1CCN([C@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine?
The InChIKey is RHNTXWMAOWIHMY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23FN6S/c1-2-24-9-11-25(12-10-24)18(17-4-3-13-27-17)19-21-22-23-26(19)14-15-5-7-16(20)8-6-15/h3-8,13,18H,2,9-12,14H2,1H3/t18-/m1/s1.
What are the key properties of 1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine?
1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine has a molecular weight of 386.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 51685873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).