1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine

C23H29FN6 — CID 1448978

IUPAC1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H29FN6/c1-2-8-22(23-25-26-27-30(23)14-13-19-9-4-3-5-10-19)29-17-15-28(16-18-29)21-12-7-6-11-20(21)24/h3-7,9-12,22H,2,8,13-18H2,1H3/t22-/m1/s1
InChIKeyWYICFCJSJHIZCO-JOCHJYFZSA-N
MW408.53 g/mol
LogP3.72
Rot. Bonds8

About 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine

1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 1448978) has the molecular formula C23H29FN6 and a molecular weight of 408.53 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID1448978
Molecular FormulaC23H29FN6
Molecular Weight408.53 g/mol
Exact Mass408.24
IUPAC Name1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H29FN6/c1-2-8-22(23-25-26-27-30(23)14-13-19-9-4-3-5-10-19)29-17-15-28(16-18-29)21-12-7-6-11-20(21)24/h3-7,9-12,22H,2,8,13-18H2,1H3/t22-/m1/s1
InChIKeyWYICFCJSJHIZCO-JOCHJYFZSA-N
XLogP3.72
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210461
1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine
CID 7389173
1-[(1R)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
CID 1446104
1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668554
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride
CID 53313628
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
1-(2-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3209776
1-(2-methoxyphenyl)-4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 43818141
1-(2-fluorophenyl)-4-[(1S)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 7389586
3-[[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3195607
1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine
CID 7397380

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine (CID 1448978) is 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine is CCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is WYICFCJSJHIZCO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29FN6/c1-2-8-22(23-25-26-27-30(23)14-13-19-9-4-3-5-10-19)29-17-15-28(16-18-29)21-12-7-6-11-20(21)24/h3-7,9-12,22H,2,8,13-18H2,1H3/t22-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine?
1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 408.53 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 1448978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).