1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine

C19H21FN6O — CID 9340184

IUPAC1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCOc1ccc(F)cc1CN1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H21FN6O/c1-27-18-8-7-16(20)13-15(18)14-24-9-11-25(12-10-24)19-21-22-23-26(19)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3
InChIKeyHNUATWCJMVDKAK-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.13
Rot. Bonds5

About 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine

1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 9340184) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID9340184
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCOc1ccc(F)cc1CN1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H21FN6O/c1-27-18-8-7-16(20)13-15(18)14-24-9-11-25(12-10-24)19-21-22-23-26(19)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3
InChIKeyHNUATWCJMVDKAK-UHFFFAOYSA-N
XLogP2.13
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Vofopitant
CID 6918331
Vofopitant Dihydrochloride
CID 6918330
(2-Methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine
CID 127943
(18F)Spa-RQ
CID 6914513
(2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 127944
(2S,3S)-N-[[2-methoxy-5-(1,2,4-triazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10784942
N-[1-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]tetrazol-5-yl]acetamide;dihydrochloride
CID 18667231
(2S,3S)-N-[[2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 22880694
(2S,3S)-N-[[5-(5-ethyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 45259228
(2S,3S)-N-[[2-methoxy-5-(5-propyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 45259231
(2S,3S)-N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 45263832
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine (CID 9340184) is 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine is COc1ccc(F)cc1CN1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is HNUATWCJMVDKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-27-18-8-7-16(20)13-15(18)14-24-9-11-25(12-10-24)19-21-22-23-26(19)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 368.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 9340184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).