benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate

C19H22FN3O2 — CID 10291144

IUPACbenzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CNc2ccncc2F)CC1
InChIInChI=1S/C19H22FN3O2/c20-17-13-21-9-6-18(17)22-12-15-7-10-23(11-8-15)19(24)25-14-16-4-2-1-3-5-16/h1-6,9,13,15H,7-8,10-12,14H2,(H,21,22)
InChIKeyDWXKWYKLQVQGSK-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.68
Rot. Bonds5

About benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate

benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 10291144) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate
PubChem CID10291144
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Namebenzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CNc2ccncc2F)CC1
InChIInChI=1S/C19H22FN3O2/c20-17-13-21-9-6-18(17)22-12-15-7-10-23(11-8-15)19(24)25-14-16-4-2-1-3-5-16/h1-6,9,13,15H,7-8,10-12,14H2,(H,21,22)
InChIKeyDWXKWYKLQVQGSK-UHFFFAOYSA-N
XLogP3.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester
CID 44403560
benzyl N-pyridin-3-ylcarbamate
CID 4323589
Dipeptidyl nitrile, 16b
CID 23648423
4-Methylbenzyl (3-pyridinylmethyl)carbamate
CID 1500306
N-[(1-Cbz-4-piperidyl)methyl]pyridin-4-amine
CID 9797385
Benzyl 4-[(pyridin-3-ylamino)methyl]piperidine-1-carboxylate
CID 9858476
Benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 10268204
4-Fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CID 10269028
4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl)pyridin-2-yl)ethyl)pyridin-2(1H)-one
CID 45487384
4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate
CID 901058
Benzyl pyridin-4-ylcarbamate
CID 4323925
(4-methylphenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoropyridin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 134542328

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate (CID 10291144) is benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(CNc2ccncc2F)CC1.
What is the InChIKey of benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is DWXKWYKLQVQGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-17-13-21-9-6-18(17)22-12-15-7-10-23(11-8-15)19(24)25-14-16-4-2-1-3-5-16/h1-6,9,13,15H,7-8,10-12,14H2,(H,21,22).
What are the key properties of benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate?
benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10291144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).