9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate

C24H27NO2 — CID 89369729

IUPAC9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@]1(C)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C24H27NO2/c1-3-13-24(2)14-8-15-25(17-24)23(26)27-16-22-20-11-6-4-9-18(20)19-10-5-7-12-21(19)22/h3-7,9-12,22H,1,8,13-17H2,2H3/t24-/m1/s1
InChIKeyUFWQMEVEUFYDAM-XMMPIXPASA-N
MW361.49 g/mol
LogP5.61
Rot. Bonds4

About 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate

9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate (PubChem CID 89369729) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
PubChem CID89369729
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@]1(C)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C24H27NO2/c1-3-13-24(2)14-8-15-25(17-24)23(26)27-16-22-20-11-6-4-9-18(20)19-10-5-7-12-21(19)22/h3-7,9-12,22H,1,8,13-17H2,2H3/t24-/m1/s1
InChIKeyUFWQMEVEUFYDAM-XMMPIXPASA-N
XLogP5.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
CID 130560080
9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate
CID 167737559
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
CID 167717175
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 118275293
9H-fluoren-9-ylmethyl 3-cyano-3-ethylpyrrolidine-1-carboxylate
CID 172529157
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl 3-hydroxy-3-(methoxymethyl)azetidine-1-carboxylate
CID 130962442
9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 175821641
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 125183653
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate (CID 89369729) is 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate is C=CC[C@]1(C)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is UFWQMEVEUFYDAM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27NO2/c1-3-13-24(2)14-8-15-25(17-24)23(26)27-16-22-20-11-6-4-9-18(20)19-10-5-7-12-21(19)22/h3-7,9-12,22H,1,8,13-17H2,2H3/t24-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate?
9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 89369729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).