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

C15H27FN2 — CID 176562394

IUPAC(1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)N2CC1(F)CCN(C)CC1
InChIInChI=1S/C15H27FN2/c1-12-9-13-3-4-14(10-12)18(13)11-15(16)5-7-17(2)8-6-15/h12-14H,3-11H2,1-2H3/t12?,13-,14+
InChIKeyXDSBYUBJYGMERR-AGUYFDCRSA-N
MW254.39 g/mol
LogP2.68
Rot. Bonds2

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

(1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 176562394) has the molecular formula C15H27FN2 and a molecular weight of 254.39 g/mol. Its IUPAC name is (1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
PubChem CID176562394
Molecular FormulaC15H27FN2
Molecular Weight254.39 g/mol
Exact Mass254.22
IUPAC Name(1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)N2CC1(F)CCN(C)CC1
InChIInChI=1S/C15H27FN2/c1-12-9-13-3-4-14(10-12)18(13)11-15(16)5-7-17(2)8-6-15/h12-14H,3-11H2,1-2H3/t12?,13-,14+
InChIKeyXDSBYUBJYGMERR-AGUYFDCRSA-N
XLogP2.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-8-[(4-fluoro-1-methylpiperidin-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
4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine
CID 118303186
(3S)-3-tert-butyl-6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane
CID 121337291
(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
8-Methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
CID 122462557
4-[1-(2-Fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine
CID 123212309
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

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane (CID 176562394) is (1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane is CC1C[C@H]2CC[C@@H](C1)N2CC1(F)CCN(C)CC1.
What is the InChIKey of (1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is XDSBYUBJYGMERR-AGUYFDCRSA-N. The full InChI is InChI=1S/C15H27FN2/c1-12-9-13-3-4-14(10-12)18(13)11-15(16)5-7-17(2)8-6-15/h12-14H,3-11H2,1-2H3/t12?,13-,14+.
What are the key properties of (1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
(1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 254.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176562394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).