(3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine

C17H21ClFN3 — CID 68564957

IUPAC(3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine
SMILESCc1ccc2ncc(Cl)c(CCN3CC[C@@H](N)[C@H](F)C3)c2c1
InChIInChI=1S/C17H21ClFN3/c1-11-2-3-17-13(8-11)12(14(18)9-21-17)4-6-22-7-5-16(20)15(19)10-22/h2-3,8-9,15-16H,4-7,10,20H2,1H3/t15-,16-/m1/s1
InChIKeyGYTNLLDYVZPHSU-HZPDHXFCSA-N
MW321.83 g/mol
LogP3.11
Rot. Bonds3

About (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine

(3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine (PubChem CID 68564957) has the molecular formula C17H21ClFN3 and a molecular weight of 321.83 g/mol. Its IUPAC name is (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine
PubChem CID68564957
Molecular FormulaC17H21ClFN3
Molecular Weight321.83 g/mol
Exact Mass321.14
IUPAC Name(3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine
SMILESCc1ccc2ncc(Cl)c(CCN3CC[C@@H](N)[C@H](F)C3)c2c1
InChIInChI=1S/C17H21ClFN3/c1-11-2-3-17-13(8-11)12(14(18)9-21-17)4-6-22-7-5-16(20)15(19)10-22/h2-3,8-9,15-16H,4-7,10,20H2,1H3/t15-,16-/m1/s1
InChIKeyGYTNLLDYVZPHSU-HZPDHXFCSA-N
XLogP3.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine with MolForge

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Related Compounds

(3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol
CID 58604205
6-[[[(3S,4R)-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;dihydrochloride
CID 68565780
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(2-cyclopropylsulfanylethyl)piperidine-3-carboxylic acid
CID 22597944
6-[4-[(3S)-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]-3-fluoropiperidin-4-yl]pentyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 163456326
2-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-(3,5-difluorophenyl)sulfanylethyl]piperidin-3-yl]acetic acid
CID 22597892
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-(5-fluorothiophen-2-yl)sulfanylethyl]piperidine-3-carboxylic acid
CID 22597911
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-[(4-fluoro-2-pyridinyl)sulfanyl]ethyl]piperidine-3-carboxylic acid
CID 22597973
(3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 124748320
3-(4-methyl-2-pyridinyl)-1-(2-phenylethyl)piperidin-4-amine
CID 141144933
3-chloro-6-methoxy-4-[3-[1-(2-pyridin-2-ylsulfanylethyl)piperidin-4-yl]propyl]quinoline
CID 151638577
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79874159
(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
CID 81491962

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine?
The IUPAC name of (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine (CID 68564957) is (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine.
What is the SMILES notation for (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine?
The canonical SMILES for (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine is Cc1ccc2ncc(Cl)c(CCN3CC[C@@H](N)[C@H](F)C3)c2c1.
What is the InChIKey of (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine?
The InChIKey is GYTNLLDYVZPHSU-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H21ClFN3/c1-11-2-3-17-13(8-11)12(14(18)9-21-17)4-6-22-7-5-16(20)15(19)10-22/h2-3,8-9,15-16H,4-7,10,20H2,1H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine?
(3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine has a molecular weight of 321.83 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine is sourced from PubChem (CID 68564957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).