1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine

C18H27FN6 — CID 857913

IUPAC1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
SMILESCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H27FN6/c1-5-15(17-20-21-22-25(17)18(2,3)4)23-10-12-24(13-11-23)16-9-7-6-8-14(16)19/h6-9,15H,5,10-13H2,1-4H3/t15-/m1/s1
InChIKeyQNGQBOLHJPYZPT-OAHLLOKOSA-N
MW346.45 g/mol
LogP2.84
Rot. Bonds4

About 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine

1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine (PubChem CID 857913) has the molecular formula C18H27FN6 and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
PubChem CID857913
Molecular FormulaC18H27FN6
Molecular Weight346.45 g/mol
Exact Mass346.23
IUPAC Name1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
SMILESCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H27FN6/c1-5-15(17-20-21-22-25(17)18(2,3)4)23-10-12-24(13-11-23)16-9-7-6-8-14(16)19/h6-9,15H,5,10-13H2,1-4H3/t15-/m1/s1
InChIKeyQNGQBOLHJPYZPT-OAHLLOKOSA-N
XLogP2.84
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 647944
1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208909
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 7383939
1-(2-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210461
1-(2-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3209776
1-[(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208981
1-[(R)-(1-tert-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 1443953
1-[(R)-(1-tert-butyltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 1444122
1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride
CID 171668184
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 7384038
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 7384018
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine
CID 1443711

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine (CID 857913) is 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine is CC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is QNGQBOLHJPYZPT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27FN6/c1-5-15(17-20-21-22-25(17)18(2,3)4)23-10-12-24(13-11-23)16-9-7-6-8-14(16)19/h6-9,15H,5,10-13H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine?
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 346.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 857913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).