[(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol

C13H25NO4 — CID 139598646

IUPAC[(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1C[C@H](CO)CN(CCC2COCCO2)C1
InChIInChI=1S/C13H25NO4/c15-8-11-5-12(9-16)7-14(6-11)2-1-13-10-17-3-4-18-13/h11-13,15-16H,1-10H2/t11-,12+,13?
InChIKeyKDVYJCXLSQTDKU-FUNVUKJBSA-N
MW259.35 g/mol
LogP-0.29
Rot. Bonds5

About [(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol

[(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol (PubChem CID 139598646) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is [(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol
PubChem CID139598646
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name[(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1C[C@H](CO)CN(CCC2COCCO2)C1
InChIInChI=1S/C13H25NO4/c15-8-11-5-12(9-16)7-14(6-11)2-1-13-10-17-3-4-18-13/h11-13,15-16H,1-10H2/t11-,12+,13?
InChIKeyKDVYJCXLSQTDKU-FUNVUKJBSA-N
XLogP-0.29
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
1-[2-(1,4-dioxan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 138808675
4-(1,4-dioxan-2-yl)butan-1-ol
CID 19815830
4-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]morpholine
CID 139599433
[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 138807507
[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]methanol
CID 102670847
N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide
CID 139599026
1,4-dioxepan-6-ylmethanol
CID 67454962
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
2-[(2R)-1,4-dioxan-2-yl]ethanamine
CID 94920257
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan-5-ylmethanol;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol
CID 159067318
2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 138809318

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol (CID 139598646) is [(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol is OC[C@@H]1C[C@H](CO)CN(CCC2COCCO2)C1.
What is the InChIKey of [(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol?
The InChIKey is KDVYJCXLSQTDKU-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H25NO4/c15-8-11-5-12(9-16)7-14(6-11)2-1-13-10-17-3-4-18-13/h11-13,15-16H,1-10H2/t11-,12+,13?.
What are the key properties of [(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol?
[(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol has a molecular weight of 259.35 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 139598646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).