[4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate

C12H15F2N3O2 — CID 175468545

IUPAC[4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate
SMILESNC(=O)OCc1cc(C2CNCCC2(F)F)ccn1
InChIInChI=1S/C12H15F2N3O2/c13-12(14)2-4-16-6-10(12)8-1-3-17-9(5-8)7-19-11(15)18/h1,3,5,10,16H,2,4,6-7H2,(H2,15,18)
InChIKeyXZIZXYPYOSLWAV-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.39
Rot. Bonds3

About [4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate

[4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate (PubChem CID 175468545) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is [4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate.

Molecular Properties

Compound Name[4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate
PubChem CID175468545
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name[4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate
SMILESNC(=O)OCc1cc(C2CNCCC2(F)F)ccn1
InChIInChI=1S/C12H15F2N3O2/c13-12(14)2-4-16-6-10(12)8-1-3-17-9(5-8)7-19-11(15)18/h1,3,5,10,16H,2,4,6-7H2,(H2,15,18)
InChIKeyXZIZXYPYOSLWAV-UHFFFAOYSA-N
XLogP1.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-5-(4-fluorophenyl)-4-[5-[2-(3-fluoro-2-pyridinyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093815
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
(4-methylphenyl)methyl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate
CID 134543346
(4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate
CID 134543455
[4-(difluoromethyl)phenyl]methyl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate
CID 134543549
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate
CID 2824416
(4-methylphenyl)methyl (4S)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate
CID 134542442
(4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoropyridin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 134542499
2-(5-Phenyl-2-pyridinyl)morpholine;hydrochloride
CID 118742062
2-(5-Phenyl-2-pyridinyl)morpholine
CID 110270436

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate?
The IUPAC name of [4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate (CID 175468545) is [4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate.
What is the SMILES notation for [4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate?
The canonical SMILES for [4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate is NC(=O)OCc1cc(C2CNCCC2(F)F)ccn1.
What is the InChIKey of [4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate?
The InChIKey is XZIZXYPYOSLWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c13-12(14)2-4-16-6-10(12)8-1-3-17-9(5-8)7-19-11(15)18/h1,3,5,10,16H,2,4,6-7H2,(H2,15,18).
What are the key properties of [4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate?
[4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate has a molecular weight of 271.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]methyl carbamate is sourced from PubChem (CID 175468545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).