[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol

C15H25N3O2 — CID 80629858

IUPAC[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol
SMILESCOCCNCc1ccc(N2CCCCC2CO)nc1
InChIInChI=1S/C15H25N3O2/c1-20-9-7-16-10-13-5-6-15(17-11-13)18-8-3-2-4-14(18)12-19/h5-6,11,14,16,19H,2-4,7-10,12H2,1H3
InChIKeyXIOSTIVATJBCRZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.17
Rot. Bonds7

About [1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol

[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol (PubChem CID 80629858) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol
PubChem CID80629858
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol
SMILESCOCCNCc1ccc(N2CCCCC2CO)nc1
InChIInChI=1S/C15H25N3O2/c1-20-9-7-16-10-13-5-6-15(17-11-13)18-8-3-2-4-14(18)12-19/h5-6,11,14,16,19H,2-4,7-10,12H2,1H3
InChIKeyXIOSTIVATJBCRZ-UHFFFAOYSA-N
XLogP1.17
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 115560699
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80638259
[1-(5-tert-butyl-2-pyridinyl)piperidin-2-yl]methanol
CID 107875282
[1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848738
N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80637880
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085

Frequently Asked Questions

What is the IUPAC name of [1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol (CID 80629858) is [1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol is COCCNCc1ccc(N2CCCCC2CO)nc1.
What is the InChIKey of [1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol?
The InChIKey is XIOSTIVATJBCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-20-9-7-16-10-13-5-6-15(17-11-13)18-8-3-2-4-14(18)12-19/h5-6,11,14,16,19H,2-4,7-10,12H2,1H3.
What are the key properties of [1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol?
[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol has a molecular weight of 279.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol is sourced from PubChem (CID 80629858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).