1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine

C23H23N3 — CID 19933871

IUPAC1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine
SMILESc1ccc2c(c1)-c1ccccc1C2N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C23H23N3/c1-3-7-21-19(5-1)20-6-2-4-8-22(20)23(21)26-15-13-25(14-16-26)17-18-9-11-24-12-10-18/h1-12,23H,13-17H2
InChIKeyXTSSCSNHUDLZDJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.97
Rot. Bonds3

About 1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine

1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 19933871) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine
PubChem CID19933871
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine
SMILESc1ccc2c(c1)-c1ccccc1C2N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C23H23N3/c1-3-7-21-19(5-1)20-6-2-4-8-22(20)23(21)26-15-13-25(14-16-26)17-18-9-11-24-12-10-18/h1-12,23H,13-17H2
InChIKeyXTSSCSNHUDLZDJ-UHFFFAOYSA-N
XLogP3.97
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 72547693
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-4-ylethanimine
CID 5435707
1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
CID 24842181
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 95871341
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride
CID 22991012
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine (CID 19933871) is 1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine is c1ccc2c(c1)-c1ccccc1C2N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is XTSSCSNHUDLZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-3-7-21-19(5-1)20-6-2-4-8-22(20)23(21)26-15-13-25(14-16-26)17-18-9-11-24-12-10-18/h1-12,23H,13-17H2.
What are the key properties of 1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine?
1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 341.46 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 19933871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).