(1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane

C16H29FN2 — CID 176562348

IUPAC(1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCCN1CCC(F)(CN2[C@@H]3CC[C@H]2CC(C)C3)CC1
InChIInChI=1S/C16H29FN2/c1-3-18-8-6-16(17,7-9-18)12-19-14-4-5-15(19)11-13(2)10-14/h13-15H,3-12H2,1-2H3/t13?,14-,15+
InChIKeyGAIDFSASZLSTGO-GOOCMWNKSA-N
MW268.42 g/mol
LogP3.07
Rot. Bonds3

About (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane

(1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 176562348) has the molecular formula C16H29FN2 and a molecular weight of 268.42 g/mol. Its IUPAC name is (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
PubChem CID176562348
Molecular FormulaC16H29FN2
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name(1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCCN1CCC(F)(CN2[C@@H]3CC[C@H]2CC(C)C3)CC1
InChIInChI=1S/C16H29FN2/c1-3-18-8-6-16(17,7-9-18)12-19-14-4-5-15(19)11-13(2)10-14/h13-15H,3-12H2,1-2H3/t13?,14-,15+
InChIKeyGAIDFSASZLSTGO-GOOCMWNKSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

2-Fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
CID 118234178
(1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337294
(1S,5R)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337300
8-Propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
CID 122451375
3-(Fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 122462537
6-Fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
CID 123441317
8-(2,2-Difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 123490402
2-Fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 135130399
(1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 135130422
(1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
CID 135134483
8-(2-Fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 144755913
4-[(1R)-1-fluoro-3-methylbutyl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 168085300

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane (CID 176562348) is (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane is CCN1CCC(F)(CN2[C@@H]3CC[C@H]2CC(C)C3)CC1.
What is the InChIKey of (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is GAIDFSASZLSTGO-GOOCMWNKSA-N. The full InChI is InChI=1S/C16H29FN2/c1-3-18-8-6-16(17,7-9-18)12-19-14-4-5-15(19)11-13(2)10-14/h13-15H,3-12H2,1-2H3/t13?,14-,15+.
What are the key properties of (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
(1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 268.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176562348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).