1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol

C12H18N2O3 — CID 157038979

IUPAC1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
SMILESOC1CN(CCc2ccccn2)CC(O)C1O
InChIInChI=1S/C12H18N2O3/c15-10-7-14(8-11(16)12(10)17)6-4-9-3-1-2-5-13-9/h1-3,5,10-12,15-17H,4,6-8H2
InChIKeyDLOSJNFCWWEZNL-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.98
Rot. Bonds3

About 1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol

1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol (PubChem CID 157038979) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
PubChem CID157038979
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
SMILESOC1CN(CCc2ccccn2)CC(O)C1O
InChIInChI=1S/C12H18N2O3/c15-10-7-14(8-11(16)12(10)17)6-4-9-3-1-2-5-13-9/h1-3,5,10-12,15-17H,4,6-8H2
InChIKeyDLOSJNFCWWEZNL-UHFFFAOYSA-N
XLogP-0.98
TPSA76.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
4-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 103576660
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
1-[4-[(3R,4S)-4-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 97024454
methyl (2R,6R)-6-methyl-4-(2-pyridin-2-ylethyl)morpholine-2-carboxylate
CID 97064912
1-[4-[(3S,4S)-4-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100870915
N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 63847232
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
1-[(3S)-1-methylpyrrolidin-3-yl]-4-pyridin-2-ylbutan-2-one
CID 58032898
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol?
The IUPAC name of 1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol (CID 157038979) is 1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol is OC1CN(CCc2ccccn2)CC(O)C1O.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol?
The InChIKey is DLOSJNFCWWEZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-10-7-14(8-11(16)12(10)17)6-4-9-3-1-2-5-13-9/h1-3,5,10-12,15-17H,4,6-8H2.
What are the key properties of 1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol?
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol has a molecular weight of 238.29 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 157038979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).