(3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol

C17H22ClN3O3 — CID 58604205

IUPAC(3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol
SMILESCOc1ccc2ncc(Cl)c(CCN3C[C@@H](O)C(N)[C@@H](O)C3)c2c1
InChIInChI=1S/C17H22ClN3O3/c1-24-10-2-3-14-12(6-10)11(13(18)7-20-14)4-5-21-8-15(22)17(19)16(23)9-21/h2-3,6-7,15-17,22-23H,4-5,8-9,19H2,1H3/t15-,16+,17?
InChIKeyKLDBXWIFNMLYJY-SJPCQFCGSA-N
MW351.83 g/mol
LogP0.80
Rot. Bonds4

About (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol

(3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol (PubChem CID 58604205) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol.

Molecular Properties

Compound Name(3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol
PubChem CID58604205
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name(3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol
SMILESCOc1ccc2ncc(Cl)c(CCN3C[C@@H](O)C(N)[C@@H](O)C3)c2c1
InChIInChI=1S/C17H22ClN3O3/c1-24-10-2-3-14-12(6-10)11(13(18)7-20-14)4-5-21-8-15(22)17(19)16(23)9-21/h2-3,6-7,15-17,22-23H,4-5,8-9,19H2,1H3/t15-,16+,17?
InChIKeyKLDBXWIFNMLYJY-SJPCQFCGSA-N
XLogP0.80
TPSA91.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(2-cyclopropylsulfanylethyl)piperidine-3-carboxylic acid
CID 22597944
(3R,4R)-1-[2-(3-chloro-6-methylquinolin-4-yl)ethyl]-3-fluoropiperidin-4-amine
CID 68564957
2-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 22470936
3-chloro-6-methoxy-4-[3-[1-(2-pyridin-2-ylsulfanylethyl)piperidin-4-yl]propyl]quinoline
CID 151638577
2-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidin-4-yl]acetate
CID 22468938
2-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidin-4-yl]acetic acid
CID 22468939
[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[4-(1,3-thiazol-2-yl)butyl]piperidin-4-yl]methanol
CID 22470390
2-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[2-(4-methoxyphenyl)sulfanylethyl]piperidin-4-yl]acetic acid
CID 22469583
[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(4-pyrazin-2-ylbutyl)piperidin-4-yl]methanol
CID 22468478
4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(3-cyclopentylsulfanylpropyl)piperidine-4-carboxylic acid
CID 22470629
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]-N-hydroxy-1-[3-(2,4,6-trifluorophenyl)propyl]piperidine-4-carboxamide
CID 22468590

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol?
The IUPAC name of (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol (CID 58604205) is (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol.
What is the SMILES notation for (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol?
The canonical SMILES for (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol is COc1ccc2ncc(Cl)c(CCN3C[C@@H](O)C(N)[C@@H](O)C3)c2c1.
What is the InChIKey of (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol?
The InChIKey is KLDBXWIFNMLYJY-SJPCQFCGSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-24-10-2-3-14-12(6-10)11(13(18)7-20-14)4-5-21-8-15(22)17(19)16(23)9-21/h2-3,6-7,15-17,22-23H,4-5,8-9,19H2,1H3/t15-,16+,17?.
What are the key properties of (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol?
(3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol has a molecular weight of 351.83 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol is sourced from PubChem (CID 58604205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).