1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine

C19H29FN6 — CID 3209410

IUPAC1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine
SMILESCCCCC(c1nnnn1C(C)C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN6/c1-4-5-6-18(19-21-22-23-26(19)15(2)3)25-13-11-24(12-14-25)17-9-7-16(20)8-10-17/h7-10,15,18H,4-6,11-14H2,1-3H3
InChIKeyVJMSXPYBTJNUHO-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.45
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine

1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine (PubChem CID 3209410) has the molecular formula C19H29FN6 and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine
PubChem CID3209410
Molecular FormulaC19H29FN6
Molecular Weight360.48 g/mol
Exact Mass360.24
IUPAC Name1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine
SMILESCCCCC(c1nnnn1C(C)C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN6/c1-4-5-6-18(19-21-22-23-26(19)15(2)3)25-13-11-24(12-14-25)17-9-7-16(20)8-10-17/h7-10,15,18H,4-6,11-14H2,1-3H3
InChIKeyVJMSXPYBTJNUHO-UHFFFAOYSA-N
XLogP3.45
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine (CID 3209410) is 1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine is CCCCC(c1nnnn1C(C)C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine?
The InChIKey is VJMSXPYBTJNUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN6/c1-4-5-6-18(19-21-22-23-26(19)15(2)3)25-13-11-24(12-14-25)17-9-7-16(20)8-10-17/h7-10,15,18H,4-6,11-14H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine?
1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine has a molecular weight of 360.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine is sourced from PubChem (CID 3209410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).