(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride

C16H22ClN3 — CID 129241158

IUPAC(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride
SMILESCc1ccc(N2C[C@@H](C)C[C@@H](N)C2)c2cccnc12.Cl
InChIInChI=1S/C16H21N3.ClH/c1-11-8-13(17)10-19(9-11)15-6-5-12(2)16-14(15)4-3-7-18-16;/h3-7,11,13H,8-10,17H2,1-2H3;1H/t11-,13+;/m0./s1
InChIKeyKCQOJYFYLUHBMB-STEACBGWSA-N
MW291.83 g/mol
LogP3.14
Rot. Bonds1

About (3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride

(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride (PubChem CID 129241158) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is (3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride
PubChem CID129241158
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride
SMILESCc1ccc(N2C[C@@H](C)C[C@@H](N)C2)c2cccnc12.Cl
InChIInChI=1S/C16H21N3.ClH/c1-11-8-13(17)10-19(9-11)15-6-5-12(2)16-14(15)4-3-7-18-16;/h3-7,11,13H,8-10,17H2,1-2H3;1H/t11-,13+;/m0./s1
InChIKeyKCQOJYFYLUHBMB-STEACBGWSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride?
The IUPAC name of (3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride (CID 129241158) is (3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride is Cc1ccc(N2C[C@@H](C)C[C@@H](N)C2)c2cccnc12.Cl.
What is the InChIKey of (3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride?
The InChIKey is KCQOJYFYLUHBMB-STEACBGWSA-N. The full InChI is InChI=1S/C16H21N3.ClH/c1-11-8-13(17)10-19(9-11)15-6-5-12(2)16-14(15)4-3-7-18-16;/h3-7,11,13H,8-10,17H2,1-2H3;1H/t11-,13+;/m0./s1.
What are the key properties of (3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride?
(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride has a molecular weight of 291.83 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 129241158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).