[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone

C25H25N2O+ — CID 9003924

IUPAC[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C25H24N2O/c1-18-10-12-19(13-11-18)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3/p+1
InChIKeyYJWADOTYZKBFIE-UHFFFAOYSA-O
MW369.49 g/mol
LogP3.11
Rot. Bonds2

About [4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone

[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone (PubChem CID 9003924) has the molecular formula C25H25N2O+ and a molecular weight of 369.49 g/mol. Its IUPAC name is [4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone
PubChem CID9003924
Molecular FormulaC25H25N2O+
Molecular Weight369.49 g/mol
Exact Mass369.20
IUPAC Name[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C25H24N2O/c1-18-10-12-19(13-11-18)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3/p+1
InChIKeyYJWADOTYZKBFIE-UHFFFAOYSA-O
XLogP3.11
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2S)-1-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 6967858
[4-[(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methylcarbonimidoyl]phenyl] acetate
CID 7421261
[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 6976014
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
(4-methylphenyl)-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]methanone
CID 90631136
2-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110365431
[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6931777
3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 2756480
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
(4-methylphenyl)-piperazin-4-ium-1-ylmethanone
CID 7016653
3-[3-[4-(4-methylbenzoyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381148

Frequently Asked Questions

What is the IUPAC name of [4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone (CID 9003924) is [4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1.
What is the InChIKey of [4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone?
The InChIKey is YJWADOTYZKBFIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H24N2O/c1-18-10-12-19(13-11-18)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3/p+1.
What are the key properties of [4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone?
[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone has a molecular weight of 369.49 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 9003924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).