N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C20H29ClFN3 — CID 44592178

IUPACN-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NC1CCN(Cc3ccc(Cl)cc3F)CC1)C2
InChIInChI=1S/C20H29ClFN3/c1-24-18-4-5-19(24)12-17(11-18)23-16-6-8-25(9-7-16)13-14-2-3-15(21)10-20(14)22/h2-3,10,16-19,23H,4-9,11-13H2,1H3
InChIKeyFPGDJTQXXKYMSU-UHFFFAOYSA-N
MW365.92 g/mol
LogP3.66
Rot. Bonds4

About N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 44592178) has the molecular formula C20H29ClFN3 and a molecular weight of 365.92 g/mol. Its IUPAC name is N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID44592178
Molecular FormulaC20H29ClFN3
Molecular Weight365.92 g/mol
Exact Mass365.20
IUPAC NameN-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NC1CCN(Cc3ccc(Cl)cc3F)CC1)C2
InChIInChI=1S/C20H29ClFN3/c1-24-18-4-5-19(24)12-17(11-18)23-16-6-8-25(9-7-16)13-14-2-3-15(21)10-20(14)22/h2-3,10,16-19,23H,4-9,11-13H2,1H3
InChIKeyFPGDJTQXXKYMSU-UHFFFAOYSA-N
XLogP3.66
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.92
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114842413
N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-1-azatricyclo[3.3.1.13,7]decan-4-amine
CID 44592268
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
1-[(4-chloro-2-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 100689176
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
3-[(4-chloro-2-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120841985
2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 114858092
4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-fluoroaniline
CID 64768462
8-methyl-N-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43373311
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 100686799
N-[(3S)-1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
CID 100638288

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 44592178) is N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NC1CCN(Cc3ccc(Cl)cc3F)CC1)C2.
What is the InChIKey of N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FPGDJTQXXKYMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClFN3/c1-24-18-4-5-19(24)12-17(11-18)23-16-6-8-25(9-7-16)13-14-2-3-15(21)10-20(14)22/h2-3,10,16-19,23H,4-9,11-13H2,1H3.
What are the key properties of N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 365.92 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 44592178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).