methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate

C16H22F2N2O3 — CID 68715059

IUPACmethyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
SMILESCOC(=O)NCCOC(c1cccc(F)c1F)C1CCCNC1
InChIInChI=1S/C16H22F2N2O3/c1-22-16(21)20-8-9-23-15(11-4-3-7-19-10-11)12-5-2-6-13(17)14(12)18/h2,5-6,11,15,19H,3-4,7-10H2,1H3,(H,20,21)
InChIKeyRFQOFUKGLPOFFU-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.38
Rot. Bonds6

About methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate

methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate (PubChem CID 68715059) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
PubChem CID68715059
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Namemethyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
SMILESCOC(=O)NCCOC(c1cccc(F)c1F)C1CCCNC1
InChIInChI=1S/C16H22F2N2O3/c1-22-16(21)20-8-9-23-15(11-4-3-7-19-10-11)12-5-2-6-13(17)14(12)18/h2,5-6,11,15,19H,3-4,7-10H2,1H3,(H,20,21)
InChIKeyRFQOFUKGLPOFFU-UHFFFAOYSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol
CID 70639511
2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68711452
methyl N-[2-[(R)-(5-chloro-2-methylphenyl)-[(3R)-piperidin-3-yl]methoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 68954194
methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
CID 141177757
2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68715376
methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]piperidin-3-yl]-(2,3-difluorophenyl)methoxy]ethyl]carbamate
CID 16717890
methyl N-[2-[(R)-(3-chloro-2-fluorophenyl)-[(3R)-1-[[(3S,4R)-4-(2-methylpropyl)piperidin-3-yl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate
CID 59201723
methyl N-[2-[(R)-(2,3-difluorophenyl)-[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate
CID 59201554
methyl N-[2-[(R)-[(3R)-1-[(2-amino-3-cyclohexylpropyl)carbamoyl]piperidin-3-yl]-(3-chloro-2-fluorophenyl)methoxy]ethyl]carbamate
CID 59201380
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
tert-butyl 3-[(R)-2-aminoethoxy-(2,3-difluorophenyl)methyl]piperidine-1-carboxylate
CID 68715328
methyl N-[4-(2-fluorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]carbamate
CID 68713452

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate?
The IUPAC name of methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate (CID 68715059) is methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate is COC(=O)NCCOC(c1cccc(F)c1F)C1CCCNC1.
What is the InChIKey of methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate?
The InChIKey is RFQOFUKGLPOFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-22-16(21)20-8-9-23-15(11-4-3-7-19-10-11)12-5-2-6-13(17)14(12)18/h2,5-6,11,15,19H,3-4,7-10H2,1H3,(H,20,21).
What are the key properties of methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate?
methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate has a molecular weight of 328.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate is sourced from PubChem (CID 68715059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).