1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

C20H25FN6O — CID 1447045

IUPAC1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCC[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN6O/c1-2-4-19(20-22-23-24-27(20)15-18-5-3-14-28-18)26-12-10-25(11-13-26)17-8-6-16(21)7-9-17/h3,5-9,14,19H,2,4,10-13,15H2,1H3/t19-/m0/s1
InChIKeyIQQZFAZYSOTABT-IBGZPJMESA-N
MW384.46 g/mol
LogP3.12
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 1447045) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID1447045
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCC[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN6O/c1-2-4-19(20-22-23-24-27(20)15-18-5-3-14-28-18)26-12-10-25(11-13-26)17-8-6-16(21)7-9-17/h3,5-9,14,19H,2,4,10-13,15H2,1H3/t19-/m0/s1
InChIKeyIQQZFAZYSOTABT-IBGZPJMESA-N
XLogP3.12
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 1447118
1-(3-chlorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 1447031
1-(4-fluorophenyl)-4-[(S)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 1447272
1-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 3210085
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]-2-methylpropyl]piperazin-4-ium
CID 7389357
1-(4-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3675225
[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209780
1-(4-fluorophenyl)-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 7388814
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine
CID 1443711
1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 855392
6-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 3195851

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (CID 1447045) is 1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is CCC[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is IQQZFAZYSOTABT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25FN6O/c1-2-4-19(20-22-23-24-27(20)15-18-5-3-14-28-18)26-12-10-25(11-13-26)17-8-6-16(21)7-9-17/h3,5-9,14,19H,2,4,10-13,15H2,1H3/t19-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 384.46 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 1447045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).