3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine

C14H30N2O — CID 55069047

IUPAC3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCCOC1CCCN(C(C)CCNC(C)C)C1
InChIInChI=1S/C14H30N2O/c1-5-17-14-7-6-10-16(11-14)13(4)8-9-15-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyWNEBKCMTHFGXCS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.26
Rot. Bonds7

About 3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine

3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 55069047) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
PubChem CID55069047
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCCOC1CCCN(C(C)CCNC(C)C)C1
InChIInChI=1S/C14H30N2O/c1-5-17-14-7-6-10-16(11-14)13(4)8-9-15-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyWNEBKCMTHFGXCS-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxypiperidin-1-yl)-N-(3-ethoxypropyl)propan-1-amine
CID 62568558
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981
3-(3-ethoxypiperidin-1-yl)butanehydrazide
CID 63578982
3-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 102968159
3-(3-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide
CID 76910258
3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
CID 62418445
N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79414132
2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-1-amine
CID 62412248
2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501687
4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine
CID 102968095
3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 102968014
2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine
CID 55069670

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine (CID 55069047) is 3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine is CCOC1CCCN(C(C)CCNC(C)C)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is WNEBKCMTHFGXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-17-14-7-6-10-16(11-14)13(4)8-9-15-12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine?
3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 55069047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).