9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol

C22H23NO — CID 22301281

IUPAC9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol
SMILESOC1(C#CCC2CCCCNC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO/c24-22(14-7-9-17-8-5-6-15-23-16-17)20-12-3-1-10-18(20)19-11-2-4-13-21(19)22/h1-4,10-13,17,23-24H,5-6,8-9,15-16H2
InChIKeyGAMXCBJAQUHUAF-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.69
Rot. Bonds1

About 9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol

9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol (PubChem CID 22301281) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol.

Molecular Properties

Compound Name9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol
PubChem CID22301281
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol
SMILESOC1(C#CCC2CCCCNC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO/c24-22(14-7-9-17-8-5-6-15-23-16-17)20-12-3-1-10-18(20)19-11-2-4-13-21(19)22/h1-4,10-13,17,23-24H,5-6,8-9,15-16H2
InChIKeyGAMXCBJAQUHUAF-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 66809492
9-(2-bromoethynyl)fluoren-9-ol
CID 10968066
4-piperidin-3-ylbut-2-yn-1-amine
CID 117265146
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
[3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate
CID 69369941
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol
CID 139556397
4-(azepan-3-ylmethyl)aniline
CID 131866248
piperidin-3-ylmethyl benzoate
CID 53409803

Frequently Asked Questions

What is the IUPAC name of 9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol?
The IUPAC name of 9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol (CID 22301281) is 9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol.
What is the SMILES notation for 9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol?
The canonical SMILES for 9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol is OC1(C#CCC2CCCCNC2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol?
The InChIKey is GAMXCBJAQUHUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c24-22(14-7-9-17-8-5-6-15-23-16-17)20-12-3-1-10-18(20)19-11-2-4-13-21(19)22/h1-4,10-13,17,23-24H,5-6,8-9,15-16H2.
What are the key properties of 9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol?
9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol has a molecular weight of 317.43 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol is sourced from PubChem (CID 22301281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).