N-(2-piperidin-1-ylethyl)oxepan-4-amine

C13H26N2O — CID 65081716

IUPACN-(2-piperidin-1-ylethyl)oxepan-4-amine
SMILESC1CCN(CCNC2CCCOCC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-8-15(9-3-1)10-7-14-13-5-4-11-16-12-6-13/h13-14H,1-12H2
InChIKeyZYBQMXYSUWTHQF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds4

About N-(2-piperidin-1-ylethyl)oxepan-4-amine

N-(2-piperidin-1-ylethyl)oxepan-4-amine (PubChem CID 65081716) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)oxepan-4-amine
PubChem CID65081716
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-piperidin-1-ylethyl)oxepan-4-amine
SMILESC1CCN(CCNC2CCCOCC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-8-15(9-3-1)10-7-14-13-5-4-11-16-12-6-13/h13-14H,1-12H2
InChIKeyZYBQMXYSUWTHQF-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-piperidin-1-ylethyl)oxepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
CID 62987458
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine
CID 114238437
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 102968342
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
N-(2-piperidin-1-ylethyl)azepan-4-amine
CID 103981872
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine
CID 63100030

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)oxepan-4-amine?
The IUPAC name of N-(2-piperidin-1-ylethyl)oxepan-4-amine (CID 65081716) is N-(2-piperidin-1-ylethyl)oxepan-4-amine.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)oxepan-4-amine?
The canonical SMILES for N-(2-piperidin-1-ylethyl)oxepan-4-amine is C1CCN(CCNC2CCCOCC2)CC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)oxepan-4-amine?
The InChIKey is ZYBQMXYSUWTHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-8-15(9-3-1)10-7-14-13-5-4-11-16-12-6-13/h13-14H,1-12H2.
What are the key properties of N-(2-piperidin-1-ylethyl)oxepan-4-amine?
N-(2-piperidin-1-ylethyl)oxepan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)oxepan-4-amine is sourced from PubChem (CID 65081716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).