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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Related Compounds

1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
1-(4-fluorophenyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 1448756
N,N-dimethyl-1-(1-phenyltetrazol-5-yl)methanamine
CID 3826763
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-4-(3-chloro-phenyl)-piperazine
CID 646653
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
1-(3-Chloro-phenyl)-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine
CID 651221
1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperazine
CID 653777
5-[4-(4-fluorophenyl)piperazino]-1-methyl-1H-1,2,4-triazol-3-amine
CID 2764707

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).