N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine

C21H22FN3 — CID 95870220

IUPACN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine
SMILESFc1ccccc1CN1CCC[C@@H](Nc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H22FN3/c22-19-9-3-1-7-17(19)14-25-13-5-8-18(15-25)23-21-12-11-16-6-2-4-10-20(16)24-21/h1-4,6-7,9-12,18H,5,8,13-15H2,(H,23,24)/t18-/m1/s1
InChIKeyGBCSMMWBZLLRPL-GOSISDBHSA-N
MW335.43 g/mol
LogP4.45
Rot. Bonds4

About N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine (PubChem CID 95870220) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine
PubChem CID95870220
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine
SMILESFc1ccccc1CN1CCC[C@@H](Nc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H22FN3/c22-19-9-3-1-7-17(19)14-25-13-5-8-18(15-25)23-21-12-11-16-6-2-4-10-20(16)24-21/h1-4,6-7,9-12,18H,5,8,13-15H2,(H,23,24)/t18-/m1/s1
InChIKeyGBCSMMWBZLLRPL-GOSISDBHSA-N
XLogP4.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 122557818
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97435966
(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine
CID 28954232
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171995465
N-(1-ethylpiperidin-4-yl)quinolin-2-amine
CID 60666937
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92572827
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 9109583
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 131918704
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine?
The IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine (CID 95870220) is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine.
What is the SMILES notation for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine?
The canonical SMILES for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine is Fc1ccccc1CN1CCC[C@@H](Nc2ccc3ccccc3n2)C1.
What is the InChIKey of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine?
The InChIKey is GBCSMMWBZLLRPL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22FN3/c22-19-9-3-1-7-17(19)14-25-13-5-8-18(15-25)23-21-12-11-16-6-2-4-10-20(16)24-21/h1-4,6-7,9-12,18H,5,8,13-15H2,(H,23,24)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine?
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine has a molecular weight of 335.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine is sourced from PubChem (CID 95870220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).