(3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol

C14H22N2O2 — CID 77087138

IUPAC(3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol
SMILESCCc1ccc(CN(CC)[C@H]2COC[C@@H]2O)nc1
InChIInChI=1S/C14H22N2O2/c1-3-11-5-6-12(15-7-11)8-16(4-2)13-9-18-10-14(13)17/h5-7,13-14,17H,3-4,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyTZHBQSIGBLSCHX-KBPBESRZSA-N
MW250.34 g/mol
LogP1.23
Rot. Bonds5

About (3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol

(3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol (PubChem CID 77087138) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol
PubChem CID77087138
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol
SMILESCCc1ccc(CN(CC)[C@H]2COC[C@@H]2O)nc1
InChIInChI=1S/C14H22N2O2/c1-3-11-5-6-12(15-7-11)8-16(4-2)13-9-18-10-14(13)17/h5-7,13-14,17H,3-4,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyTZHBQSIGBLSCHX-KBPBESRZSA-N
XLogP1.23
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
CID 12960088
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
CID 2998486
(2R,3R,4S)-2-(hydroxymethyl)-1-(isoquinolin-1-ylmethyl)pyrrolidine-3,4-diol
CID 44568622
(2S,3S,4R,5R)-5-[[bis[(4-fluorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol
CID 28961265
(3R,4R)-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 162646729
(3R,4R)-4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 162649928
(3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 162668021
Fuzanin D
CID 25154887
Fuzanin C
CID 25178868
(2R,3S,4R,5R)-2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]oxane-2,3,4,5-tetrol
CID 101924962
(2R,3R,4R)-2-(hydroxymethyl)-1-(pyridin-4-ylmethyl)piperidine-3,4-diol
CID 118986939
1-[[1-[(4-Fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]propan-2-ol
CID 24715228

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol (CID 77087138) is (3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol is CCc1ccc(CN(CC)[C@H]2COC[C@@H]2O)nc1.
What is the InChIKey of (3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol?
The InChIKey is TZHBQSIGBLSCHX-KBPBESRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11-5-6-12(15-7-11)8-16(4-2)13-9-18-10-14(13)17/h5-7,13-14,17H,3-4,8-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol?
(3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol has a molecular weight of 250.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[ethyl-[(5-ethyl-2-pyridinyl)methyl]amino]oxolan-3-ol is sourced from PubChem (CID 77087138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).