1-ethyl-4,4-dimethylpiperidine;hydrate

C9H21NO — CID 178113144

IUPAC1-ethyl-4,4-dimethylpiperidine;hydrate
SMILESCCN1CCC(C)(C)CC1.O
InChIInChI=1S/C9H19N.H2O/c1-4-10-7-5-9(2,3)6-8-10;/h4-8H2,1-3H3;1H2
InChIKeyRXOZALADLOYKOY-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.30
Rot. Bonds1

About 1-ethyl-4,4-dimethylpiperidine;hydrate

1-ethyl-4,4-dimethylpiperidine;hydrate (PubChem CID 178113144) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-ethyl-4,4-dimethylpiperidine;hydrate.

Molecular Properties

Compound Name1-ethyl-4,4-dimethylpiperidine;hydrate
PubChem CID178113144
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-ethyl-4,4-dimethylpiperidine;hydrate
SMILESCCN1CCC(C)(C)CC1.O
InChIInChI=1S/C9H19N.H2O/c1-4-10-7-5-9(2,3)6-8-10;/h4-8H2,1-3H3;1H2
InChIKeyRXOZALADLOYKOY-UHFFFAOYSA-N
XLogP1.30
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
(1-ethyl-4-methylpiperidin-4-yl)methanol
CID 23389267
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1,4-diethyl-4-iodopiperidine
CID 118535824
5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane
CID 91349138
1-ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
1-hexyl-4,4-dimethylpiperidine
CID 18722930
1-ethyl-4-fluoro-4-iodopiperidine
CID 147786451
1,4-diethylpiperazine;sulfane
CID 177062456
1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
4,4-dimethyl-1-propylazocane;ethane
CID 144928952
4,4-dimethyl-1-pentylazepane
CID 18723213

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-dimethylpiperidine;hydrate?
The IUPAC name of 1-ethyl-4,4-dimethylpiperidine;hydrate (CID 178113144) is 1-ethyl-4,4-dimethylpiperidine;hydrate.
What is the SMILES notation for 1-ethyl-4,4-dimethylpiperidine;hydrate?
The canonical SMILES for 1-ethyl-4,4-dimethylpiperidine;hydrate is CCN1CCC(C)(C)CC1.O.
What is the InChIKey of 1-ethyl-4,4-dimethylpiperidine;hydrate?
The InChIKey is RXOZALADLOYKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.H2O/c1-4-10-7-5-9(2,3)6-8-10;/h4-8H2,1-3H3;1H2.
What are the key properties of 1-ethyl-4,4-dimethylpiperidine;hydrate?
1-ethyl-4,4-dimethylpiperidine;hydrate has a molecular weight of 159.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-dimethylpiperidine;hydrate is sourced from PubChem (CID 178113144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).