2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol

C15H25N3O2 — CID 82690899

IUPAC2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
SMILESCNCc1cnc(N2CCC(OCCO)CC2)c(C)c1
InChIInChI=1S/C15H25N3O2/c1-12-9-13(10-16-2)11-17-15(12)18-5-3-14(4-6-18)20-8-7-19/h9,11,14,16,19H,3-8,10H2,1-2H3
InChIKeyYZZGDORSKVHPSO-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.09
Rot. Bonds6

About 2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol

2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol (PubChem CID 82690899) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
PubChem CID82690899
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
SMILESCNCc1cnc(N2CCC(OCCO)CC2)c(C)c1
InChIInChI=1S/C15H25N3O2/c1-12-9-13(10-16-2)11-17-15(12)18-5-3-14(4-6-18)20-8-7-19/h9,11,14,16,19H,3-8,10H2,1-2H3
InChIKeyYZZGDORSKVHPSO-UHFFFAOYSA-N
XLogP1.09
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635442
1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670475
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-4-yl]methanol
CID 80629576
2-[1-(3-amino-5-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82696655
N-methyl-1-[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine
CID 80629688
[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628617
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695714
N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine
CID 81200310
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691796
1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635594
5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid
CID 82691325
2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114798609

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol (CID 82690899) is 2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol is CNCc1cnc(N2CCC(OCCO)CC2)c(C)c1.
What is the InChIKey of 2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol?
The InChIKey is YZZGDORSKVHPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-9-13(10-16-2)11-17-15(12)18-5-3-14(4-6-18)20-8-7-19/h9,11,14,16,19H,3-8,10H2,1-2H3.
What are the key properties of 2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol?
2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol has a molecular weight of 279.38 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82690899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).