bis(2-piperidin-1-ylethanol);dihydroiodide

C14H32I2N2O2 — CID 175097300

IUPACbis(2-piperidin-1-ylethanol);dihydroiodide
SMILESI.I.OCCN1CCCCC1.OCCN1CCCCC1
InChIInChI=1S/2C7H15NO.2HI/c2*9-7-6-8-4-2-1-3-5-8;;/h2*9H,1-7H2;2*1H
InChIKeySRAXALXSLJEKNO-UHFFFAOYSA-N
MW514.23 g/mol
LogP2.17
Rot. Bonds4

About bis(2-piperidin-1-ylethanol);dihydroiodide

bis(2-piperidin-1-ylethanol);dihydroiodide (PubChem CID 175097300) has the molecular formula C14H32I2N2O2 and a molecular weight of 514.23 g/mol. Its IUPAC name is bis(2-piperidin-1-ylethanol);dihydroiodide.

Molecular Properties

Compound Namebis(2-piperidin-1-ylethanol);dihydroiodide
PubChem CID175097300
Molecular FormulaC14H32I2N2O2
Molecular Weight514.23 g/mol
Exact Mass514.06
IUPAC Namebis(2-piperidin-1-ylethanol);dihydroiodide
SMILESI.I.OCCN1CCCCC1.OCCN1CCCCC1
InChIInChI=1S/2C7H15NO.2HI/c2*9-7-6-8-4-2-1-3-5-8;;/h2*9H,1-7H2;2*1H
InChIKeySRAXALXSLJEKNO-UHFFFAOYSA-N
XLogP2.17
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;2-pyrrolidin-1-ylethanol
CID 142059876
propan-1-ol;2-pyrrolidin-1-ylethanol
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2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
methoxyethane;2-pyrrolidin-1-ylethanol
CID 142175082
acetylene;3-piperidin-1-ylpropan-1-ol
CID 162683866
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanol
CID 57255409
2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 80695797
2-(1,5,9-triazacyclododec-1-yl)ethanol
CID 11143375
2-morpholin-4-ylethanol;2-piperazin-1-ylethanol;2-piperidin-1-ylethanol;2-pyrrolidin-1-ylethanol
CID 157451778

Frequently Asked Questions

What is the IUPAC name of bis(2-piperidin-1-ylethanol);dihydroiodide?
The IUPAC name of bis(2-piperidin-1-ylethanol);dihydroiodide (CID 175097300) is bis(2-piperidin-1-ylethanol);dihydroiodide.
What is the SMILES notation for bis(2-piperidin-1-ylethanol);dihydroiodide?
The canonical SMILES for bis(2-piperidin-1-ylethanol);dihydroiodide is I.I.OCCN1CCCCC1.OCCN1CCCCC1.
What is the InChIKey of bis(2-piperidin-1-ylethanol);dihydroiodide?
The InChIKey is SRAXALXSLJEKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15NO.2HI/c2*9-7-6-8-4-2-1-3-5-8;;/h2*9H,1-7H2;2*1H.
What are the key properties of bis(2-piperidin-1-ylethanol);dihydroiodide?
bis(2-piperidin-1-ylethanol);dihydroiodide has a molecular weight of 514.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-piperidin-1-ylethanol);dihydroiodide is sourced from PubChem (CID 175097300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).