2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride

C9H22Cl2N2O — CID 56831592

IUPAC2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride
SMILESCCN(CCO)C1CCNCC1.Cl.Cl
InChIInChI=1S/C9H20N2O.2ClH/c1-2-11(7-8-12)9-3-5-10-6-4-9;;/h9-10,12H,2-8H2,1H3;2*1H
InChIKeyIGSGEPQIPQKWKH-UHFFFAOYSA-N
MW245.19 g/mol
LogP0.90
Rot. Bonds4

About 2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride

2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride (PubChem CID 56831592) has the molecular formula C9H22Cl2N2O and a molecular weight of 245.19 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride
PubChem CID56831592
Molecular FormulaC9H22Cl2N2O
Molecular Weight245.19 g/mol
Exact Mass244.11
IUPAC Name2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride
SMILESCCN(CCO)C1CCNCC1.Cl.Cl
InChIInChI=1S/C9H20N2O.2ClH/c1-2-11(7-8-12)9-3-5-10-6-4-9;;/h9-10,12H,2-8H2,1H3;2*1H
InChIKeyIGSGEPQIPQKWKH-UHFFFAOYSA-N
XLogP0.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602
[ethyl(piperidin-4-yl)amino]methanol
CID 176656456
2-[ethyl-(4-ethylcyclohexyl)amino]ethanol
CID 64774254
1-[ethyl(piperidin-4-yl)amino]-2-methylpropan-2-ol
CID 60883814
N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride
CID 120844769
1-[4-[ethyl(2-hydroxyethyl)amino]piperidin-1-yl]ethanone
CID 66565461
1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol
CID 126847022
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
1-ethoxy-3-[ethyl(piperidin-4-yl)amino]propan-2-ol
CID 63932998
2-[ethyl(thiolan-3-yl)amino]ethanol
CID 121203695
ethyl 2-[ethyl(piperidin-4-yl)amino]acetate
CID 60805794
N-(2,2-dimethoxyethyl)-N-ethylpiperidin-4-amine
CID 66220831

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride?
The IUPAC name of 2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride (CID 56831592) is 2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride?
The canonical SMILES for 2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride is CCN(CCO)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride?
The InChIKey is IGSGEPQIPQKWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.2ClH/c1-2-11(7-8-12)9-3-5-10-6-4-9;;/h9-10,12H,2-8H2,1H3;2*1H.
What are the key properties of 2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride?
2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride has a molecular weight of 245.19 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride is sourced from PubChem (CID 56831592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).