(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol

C16H27N3O2 — CID 129434601

IUPAC(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol
SMILESCOCCN(C)c1ccc(CN2CC[C@@H](O)[C@@H](C)C2)cn1
InChIInChI=1S/C16H27N3O2/c1-13-11-19(7-6-15(13)20)12-14-4-5-16(17-10-14)18(2)8-9-21-3/h4-5,10,13,15,20H,6-9,11-12H2,1-3H3/t13-,15+/m0/s1
InChIKeyJUNGOBWGANKIAL-DZGCQCFKSA-N
MW293.41 g/mol
LogP1.37
Rot. Bonds6

About (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol

(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol (PubChem CID 129434601) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol
PubChem CID129434601
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol
SMILESCOCCN(C)c1ccc(CN2CC[C@@H](O)[C@@H](C)C2)cn1
InChIInChI=1S/C16H27N3O2/c1-13-11-19(7-6-15(13)20)12-14-4-5-16(17-10-14)18(2)8-9-21-3/h4-5,10,13,15,20H,6-9,11-12H2,1-3H3/t13-,15+/m0/s1
InChIKeyJUNGOBWGANKIAL-DZGCQCFKSA-N
XLogP1.37
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol with MolForge

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Related Compounds

N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120840257
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120838198
5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120843047
N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843183
N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846605
(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 124846522

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol (CID 129434601) is (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol is COCCN(C)c1ccc(CN2CC[C@@H](O)[C@@H](C)C2)cn1.
What is the InChIKey of (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol?
The InChIKey is JUNGOBWGANKIAL-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-11-19(7-6-15(13)20)12-14-4-5-16(17-10-14)18(2)8-9-21-3/h4-5,10,13,15,20H,6-9,11-12H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol?
(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol has a molecular weight of 293.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 129434601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).