(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

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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).