1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine

C19H29FN6 — CID 1443711

IUPAC1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine
SMILESCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN6/c1-5-6-17(18-21-22-23-26(18)19(2,3)4)25-13-11-24(12-14-25)16-9-7-15(20)8-10-16/h7-10,17H,5-6,11-14H2,1-4H3/t17-/m0/s1
InChIKeyZVOQNUQVBKZUOX-KRWDZBQOSA-N
MW360.48 g/mol
LogP3.23
Rot. Bonds5

About 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine

1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine (PubChem CID 1443711) has the molecular formula C19H29FN6 and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine
PubChem CID1443711
Molecular FormulaC19H29FN6
Molecular Weight360.48 g/mol
Exact Mass360.24
IUPAC Name1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine
SMILESCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN6/c1-5-6-17(18-21-22-23-26(18)19(2,3)4)25-13-11-24(12-14-25)16-9-7-15(20)8-10-16/h7-10,17H,5-6,11-14H2,1-4H3/t17-/m0/s1
InChIKeyZVOQNUQVBKZUOX-KRWDZBQOSA-N
XLogP3.23
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine
CID 1444307
1-[(1-tert-butyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208953
1-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-(4-methoxyphenyl)piperazine
CID 1446454
1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 1447045
1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
CID 1443719
4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
CID 3208928
1-(4-fluorophenyl)-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 7388814
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 857913
1-[(1-tert-butyltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208992
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazin-1-ium
CID 7384096
1-(4-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3675225
1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
CID 3209053

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine (CID 1443711) is 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine is CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is ZVOQNUQVBKZUOX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29FN6/c1-5-6-17(18-21-22-23-26(18)19(2,3)4)25-13-11-24(12-14-25)16-9-7-15(20)8-10-16/h7-10,17H,5-6,11-14H2,1-4H3/t17-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine?
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 360.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 1443711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).