(2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol

C17H26N2O — CID 23630834

IUPAC(2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol
SMILESC[C@H]1Cc2ncccc2[C@@H](C[C@@H]2C[C@@H](O)CCN2C)C1
InChIInChI=1S/C17H26N2O/c1-12-8-13(16-4-3-6-18-17(16)9-12)10-14-11-15(20)5-7-19(14)2/h3-4,6,12-15,20H,5,7-11H2,1-2H3/t12-,13-,14-,15+/m1/s1
InChIKeyNKFHPKWLZWHZNQ-TUVASFSCSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds2

About (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol

(2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol (PubChem CID 23630834) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name(2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol
PubChem CID23630834
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol
SMILESC[C@H]1Cc2ncccc2[C@@H](C[C@@H]2C[C@@H](O)CCN2C)C1
InChIInChI=1S/C17H26N2O/c1-12-8-13(16-4-3-6-18-17(16)9-12)10-14-11-15(20)5-7-19(14)2/h3-4,6,12-15,20H,5,7-11H2,1-2H3/t12-,13-,14-,15+/m1/s1
InChIKeyNKFHPKWLZWHZNQ-TUVASFSCSA-N
XLogP2.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

Abiraterone
CID 132971
2-[1-Isobutyl-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16189802
Abiraterone Impurity 89
CID 10247264
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 10450499
Rac-1,2,5-trimethyl-4-(quinolin-5-ylethynyl)piperidin-4-ol
CID 52944521
(3S,8R,10R,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 118618017
(3S,8R,9R,10R,13S,14R)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 57519533
(R)-1-((1S,2S,3R,4aS,8aR)-3-(hydroxymethyl)-1-(2-(5-(3-(trifluoromethyl)phenyl)pyridin-2-yl)vinyl)-decahydronaphthalen-2-yl)ethanol
CID 16046150
2-[1-Isobutyl-4-(6-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16188422
2-[1-(4-Methylbenzyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
CID 16192296
(6R,8S)-6-((4-o-tolylpiperidin-1-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-ol
CID 24894531
(6R,8S)-6-(((3R,4R)-3-hydroxy-4-o-tolylpiperidin-1-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-ol
CID 24894783

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol?
The IUPAC name of (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol (CID 23630834) is (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol is C[C@H]1Cc2ncccc2[C@@H](C[C@@H]2C[C@@H](O)CCN2C)C1.
What is the InChIKey of (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol?
The InChIKey is NKFHPKWLZWHZNQ-TUVASFSCSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-13(16-4-3-6-18-17(16)9-12)10-14-11-15(20)5-7-19(14)2/h3-4,6,12-15,20H,5,7-11H2,1-2H3/t12-,13-,14-,15+/m1/s1.
What are the key properties of (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol?
(2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol has a molecular weight of 274.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-methyl-2-[[(5R,7R)-7-methyl-5,6,7,8-tetrahydroquinolin-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 23630834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).