(3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol

C18H25N3O — CID 56854498

IUPAC(3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol
SMILESCN1CC[C@@H](O)[C@H](CN(C)Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C18H25N3O/c1-20-10-9-18(22)15(11-20)12-21(2)13-16-8-7-14-5-3-4-6-17(14)19-16/h3-8,15,18,22H,9-13H2,1-2H3/t15-,18+/m0/s1
InChIKeySKRVICULZBSJIX-MAUKXSAKSA-N
MW299.42 g/mol
LogP1.98
Rot. Bonds4

About (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol

(3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol (PubChem CID 56854498) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol
PubChem CID56854498
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol
SMILESCN1CC[C@@H](O)[C@H](CN(C)Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C18H25N3O/c1-20-10-9-18(22)15(11-20)12-21(2)13-16-8-7-14-5-3-4-6-17(14)19-16/h3-8,15,18,22H,9-13H2,1-2H3/t15-,18+/m0/s1
InChIKeySKRVICULZBSJIX-MAUKXSAKSA-N
XLogP1.98
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol with MolForge

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine
CID 50978297
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-(quinolin-2-ylmethyl)methanamine
CID 26396180
N-methyl-N-(quinolin-2-ylmethyl)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 128996110
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
CID 114511029
4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
CID 79112911
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63276042
2-methyl-1-[methyl(quinolin-2-ylmethyl)amino]propan-2-ol
CID 78995605
N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
CID 74539424
N'-hydroxy-3-[methyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 43209629
N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 75682393
(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 51598738

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol?
The IUPAC name of (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol (CID 56854498) is (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol?
The canonical SMILES for (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol is CN1CC[C@@H](O)[C@H](CN(C)Cc2ccc3ccccc3n2)C1.
What is the InChIKey of (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol?
The InChIKey is SKRVICULZBSJIX-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20-10-9-18(22)15(11-20)12-21(2)13-16-8-7-14-5-3-4-6-17(14)19-16/h3-8,15,18,22H,9-13H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol?
(3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol has a molecular weight of 299.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 56854498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).