1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol

C16H21N3O2 — CID 45229309

IUPAC1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2ncccc2CNCc2ccco2)C1
InChIInChI=1S/C16H21N3O2/c20-14-5-2-8-19(12-14)16-13(4-1-7-18-16)10-17-11-15-6-3-9-21-15/h1,3-4,6-7,9,14,17,20H,2,5,8,10-12H2
InChIKeyIACHBIDFTDFUJT-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.93
Rot. Bonds5

About 1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol

1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol (PubChem CID 45229309) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol
PubChem CID45229309
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2ncccc2CNCc2ccco2)C1
InChIInChI=1S/C16H21N3O2/c20-14-5-2-8-19(12-14)16-13(4-1-7-18-16)10-17-11-15-6-3-9-21-15/h1,3-4,6-7,9,14,17,20H,2,5,8,10-12H2
InChIKeyIACHBIDFTDFUJT-UHFFFAOYSA-N
XLogP1.93
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[3-[[(5-methylfuran-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 25282607
1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 45204429
1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 45196503
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 42147241
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 45252804
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol
CID 56738805
1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 56746340
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
CID 56745363
N-(furan-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676420
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol (CID 45229309) is 1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol is OC1CCCN(c2ncccc2CNCc2ccco2)C1.
What is the InChIKey of 1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is IACHBIDFTDFUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-14-5-2-8-19(12-14)16-13(4-1-7-18-16)10-17-11-15-6-3-9-21-15/h1,3-4,6-7,9,14,17,20H,2,5,8,10-12H2.
What are the key properties of 1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol?
1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 287.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 45229309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).