4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine

C14H30N2O — CID 62575512

IUPAC4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
SMILESCCOCCCCNCCN1CCC(C)CC1
InChIInChI=1S/C14H30N2O/c1-3-17-13-5-4-8-15-9-12-16-10-6-14(2)7-11-16/h14-15H,3-13H2,1-2H3
InChIKeyCPZUTCOTIUPPCH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds9

About 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine

4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine (PubChem CID 62575512) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
PubChem CID62575512
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
SMILESCCOCCCCNCCN1CCC(C)CC1
InChIInChI=1S/C14H30N2O/c1-3-17-13-5-4-8-15-9-12-16-10-6-14(2)7-11-16/h14-15H,3-13H2,1-2H3
InChIKeyCPZUTCOTIUPPCH-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
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

4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62554227
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62575890
4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 63167841
3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 139481440
3-ethoxy-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]propan-1-amine
CID 79170897
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
4-ethoxy-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62560108
4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62557776
3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 55158969
3-ethoxy-N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619832
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62773502

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine (CID 62575512) is 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine is CCOCCCCNCCN1CCC(C)CC1.
What is the InChIKey of 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
The InChIKey is CPZUTCOTIUPPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-17-13-5-4-8-15-9-12-16-10-6-14(2)7-11-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62575512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).