(2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol

C17H34N2O3 — CID 40530981

IUPAC(2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol
SMILESO[C@H](COCCOCCN1CCCCC1)CN1CCCCC1
InChIInChI=1S/C17H34N2O3/c20-17(15-19-9-5-2-6-10-19)16-22-14-13-21-12-11-18-7-3-1-4-8-18/h17,20H,1-16H2/t17-/m0/s1
InChIKeyRVSRIHKYGCDURP-KRWDZBQOSA-N
MW314.47 g/mol
LogP1.35
Rot. Bonds10

About (2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol

(2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol (PubChem CID 40530981) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is (2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol
PubChem CID40530981
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Name(2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol
SMILESO[C@H](COCCOCCN1CCCCC1)CN1CCCCC1
InChIInChI=1S/C17H34N2O3/c20-17(15-19-9-5-2-6-10-19)16-22-14-13-21-12-11-18-7-3-1-4-8-18/h17,20H,1-16H2/t17-/m0/s1
InChIKeyRVSRIHKYGCDURP-KRWDZBQOSA-N
XLogP1.35
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-octoxy-3-piperidin-1-ylpropan-2-ol
CID 566865
1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol
CID 3709634
1-[2-(4-bromophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 12005912
1-(azepan-1-yl)-3-[2-(4-propan-2-ylphenoxy)ethoxy]propan-2-ol
CID 43865760
1-[2-(4-chlorophenoxy)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 4670670
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
(2S)-1-[2-(4-propan-2-ylphenoxy)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 51975381
methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate
CID 106992894
1-[2-(1-adamantyl)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2882803
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742

Frequently Asked Questions

What is the IUPAC name of (2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol?
The IUPAC name of (2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol (CID 40530981) is (2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol?
The canonical SMILES for (2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol is O[C@H](COCCOCCN1CCCCC1)CN1CCCCC1.
What is the InChIKey of (2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol?
The InChIKey is RVSRIHKYGCDURP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34N2O3/c20-17(15-19-9-5-2-6-10-19)16-22-14-13-21-12-11-18-7-3-1-4-8-18/h17,20H,1-16H2/t17-/m0/s1.
What are the key properties of (2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol?
(2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol has a molecular weight of 314.47 g/mol, XLogP of 1.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 40530981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).