1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine

C13H28N2O — CID 104584745

IUPAC1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNC(C)C1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)16-10-7-14-12(3)13-5-8-15(4)9-6-13/h11-14H,5-10H2,1-4H3
InChIKeyCWBGBTJRGSQOTH-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine

1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 104584745) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID104584745
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNC(C)C1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)16-10-7-14-12(3)13-5-8-15(4)9-6-13/h11-14H,5-10H2,1-4H3
InChIKeyCWBGBTJRGSQOTH-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-Methoxyethyl)piperidin-4-yl]methanamine
CID 28063523
Dimethyl(2-(piperidin-4-yloxy)ethyl)amine
CID 43167826
1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
3-Ethyl-2-(morpholin-4-yl)pentan-1-amine
CID 16228000
Diethyl[2-(piperidin-4-yloxy)ethyl]amine
CID 43346288
(2R,6S)-2,6-dimethyl-4-(piperidin-4-yl)morpholine
CID 795717
4-(Piperidin-4-ylmethyl)morpholine
CID 12802906
rel-(2R,6S)-2,6-Dimethyl-4-(4-piperidinylmethyl)morpholine
CID 29888966
2-[2-(2-ethoxyethoxy)ethoxy]-N-(piperidin-4-ylmethyl)ethanamine
CID 44592951
N-{[1-(2-Methoxyethyl)pyrrolidin-3-YL]methyl}-N-methylpiperidin-4-amine
CID 56700791
2-[4-[(2-Ethoxyethylamino)methyl]piperidin-1-yl]ethanol
CID 72141115
4-(2-Piperidin-4-ylethyl)morpholine
CID 270741

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine (CID 104584745) is 1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCNC(C)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is CWBGBTJRGSQOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)16-10-7-14-12(3)13-5-8-15(4)9-6-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 104584745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).