benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate

C19H25FN2O3 — CID 169044811

IUPACbenzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C(=O)N2CCCC(F)C2)CC1
InChIInChI=1S/C19H25FN2O3/c20-17-7-4-10-22(13-17)18(23)16-8-11-21(12-9-16)19(24)25-14-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2
InChIKeyKXVHTCDQVOMJDN-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.00
Rot. Bonds3

About benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate

benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 169044811) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID169044811
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Namebenzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C(=O)N2CCCC(F)C2)CC1
InChIInChI=1S/C19H25FN2O3/c20-17-7-4-10-22(13-17)18(23)16-8-11-21(12-9-16)19(24)25-14-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2
InChIKeyKXVHTCDQVOMJDN-UHFFFAOYSA-N
XLogP3.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-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

4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
benzyl 4-(2-aminoacetyl)azepane-1-carboxylate
CID 115006849
benzyl piperidine-1-carboxylate
CID 158057698
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
tert-butyl 4-(1-phenylmethoxycarbonylpyrrolidine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 54491210
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 69063371
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
benzyl 4-fluoro-5-oxoazocane-1-carboxylate
CID 122547365

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate (CID 169044811) is benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(C(=O)N2CCCC(F)C2)CC1.
What is the InChIKey of benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is KXVHTCDQVOMJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-17-7-4-10-22(13-17)18(23)16-8-11-21(12-9-16)19(24)25-14-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2.
What are the key properties of benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate?
benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 169044811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).