1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine

C24H31FN6O — CID 1444486

IUPAC1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine
SMILESCCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C24H31FN6O/c1-5-24(2,3)31-23(26-27-28-31)22(18-9-11-19(25)12-10-18)30-15-13-29(14-16-30)20-7-6-8-21(17-20)32-4/h6-12,17,22H,5,13-16H2,1-4H3/t22-/m0/s1
InChIKeyJSVCLWXLXKIJCV-QFIPXVFZSA-N
MW438.55 g/mol
LogP3.88
Rot. Bonds7

About 1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine

1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 1444486) has the molecular formula C24H31FN6O and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine
PubChem CID1444486
Molecular FormulaC24H31FN6O
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine
SMILESCCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C24H31FN6O/c1-5-24(2,3)31-23(26-27-28-31)22(18-9-11-19(25)12-10-18)30-15-13-29(14-16-30)20-7-6-8-21(17-20)32-4/h6-12,17,22H,5,13-16H2,1-4H3/t22-/m0/s1
InChIKeyJSVCLWXLXKIJCV-QFIPXVFZSA-N
XLogP3.88
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methoxyphenyl)-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
CID 3209061
1-[(S)-(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 1499515
1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 3842641
1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-3-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3229211
1-[(1-tert-butyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208953
1-(4-methoxyphenyl)-4-[(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 3209154
1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol
CID 1432259
1-(3-methoxyphenyl)-4-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazin-4-ium
CID 7384313
1-[(R)-(1-tert-butyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1443998
1-[(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208971
1-[(S)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1444054
1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3209292

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine (CID 1444486) is 1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine is CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is JSVCLWXLXKIJCV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H31FN6O/c1-5-24(2,3)31-23(26-27-28-31)22(18-9-11-19(25)12-10-18)30-15-13-29(14-16-30)20-7-6-8-21(17-20)32-4/h6-12,17,22H,5,13-16H2,1-4H3/t22-/m0/s1.
What are the key properties of 1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine?
1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine has a molecular weight of 438.55 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 1444486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).