2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide

C13H26N2O3 — CID 110027884

IUPAC2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCN(CCOCCO)CC1
InChIInChI=1S/C13H26N2O3/c1-14(2)13(17)11-12-3-5-15(6-4-12)7-9-18-10-8-16/h12,16H,3-11H2,1-2H3
InChIKeyQLGRZGHGUATTOR-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.19
Rot. Bonds7

About 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide

2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide (PubChem CID 110027884) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide
PubChem CID110027884
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCN(CCOCCO)CC1
InChIInChI=1S/C13H26N2O3/c1-14(2)13(17)11-12-3-5-15(6-4-12)7-9-18-10-8-16/h12,16H,3-11H2,1-2H3
InChIKeyQLGRZGHGUATTOR-UHFFFAOYSA-N
XLogP0.19
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]ethanol
CID 61069984
2-[2-[4-(ethoxymethyl)piperidin-1-yl]ethoxy]ethanol
CID 111439736
2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
CID 63849785
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371
2-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]ethoxy]ethanol
CID 111825684
2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243071
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one
CID 176581495
2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
CID 176958923
2-[4,7-bis(carboxymethyl)-10-[2-(2-hydroxyethoxy)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19438545
[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 111432780
tert-butyl N-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-yl]carbamate
CID 156865630

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide (CID 110027884) is 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide?
The InChIKey is QLGRZGHGUATTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-14(2)13(17)11-12-3-5-15(6-4-12)7-9-18-10-8-16/h12,16H,3-11H2,1-2H3.
What are the key properties of 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide?
2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide has a molecular weight of 258.36 g/mol, XLogP of 0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 110027884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).