1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine

C15H30N2O — CID 64549772

IUPAC1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine
SMILESNC1(COCCN2CCCCC2)CCCCCC1
InChIInChI=1S/C15H30N2O/c16-15(8-4-1-2-5-9-15)14-18-13-12-17-10-6-3-7-11-17/h1-14,16H2
InChIKeyNECZQDZRMOIRHZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.54
Rot. Bonds5

About 1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine

1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine (PubChem CID 64549772) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine
PubChem CID64549772
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine
SMILESNC1(COCCN2CCCCC2)CCCCCC1
InChIInChI=1S/C15H30N2O/c16-15(8-4-1-2-5-9-15)14-18-13-12-17-10-6-3-7-11-17/h1-14,16H2
InChIKeyNECZQDZRMOIRHZ-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine (CID 64549772) is 1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine is NC1(COCCN2CCCCC2)CCCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine?
The InChIKey is NECZQDZRMOIRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c16-15(8-4-1-2-5-9-15)14-18-13-12-17-10-6-3-7-11-17/h1-14,16H2.
What are the key properties of 1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine?
1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64549772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).