1-(3-methoxypropyl)-2-piperidin-4-ylazepane

C15H30N2O — CID 64852585

IUPAC1-(3-methoxypropyl)-2-piperidin-4-ylazepane
SMILESCOCCCN1CCCCCC1C1CCNCC1
InChIInChI=1S/C15H30N2O/c1-18-13-5-12-17-11-4-2-3-6-15(17)14-7-9-16-10-8-14/h14-16H,2-13H2,1H3
InChIKeyWCQJHBSOHRPHGF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About 1-(3-methoxypropyl)-2-piperidin-4-ylazepane

1-(3-methoxypropyl)-2-piperidin-4-ylazepane (PubChem CID 64852585) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-piperidin-4-ylazepane.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-piperidin-4-ylazepane
PubChem CID64852585
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(3-methoxypropyl)-2-piperidin-4-ylazepane
SMILESCOCCCN1CCCCCC1C1CCNCC1
InChIInChI=1S/C15H30N2O/c1-18-13-5-12-17-11-4-2-3-6-15(17)14-7-9-16-10-8-14/h14-16H,2-13H2,1H3
InChIKeyWCQJHBSOHRPHGF-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methoxypropyl)-2-piperidin-4-ylazepane 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

1-(2-methoxyethyl)-2-piperidin-4-ylazepane
CID 64851835
3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine
CID 66273644
4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
CID 63903227
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane
CID 64852031
2-cyclohexyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414076
1-(2-methoxyethylsulfonyl)-2-piperidin-4-ylazepane
CID 64611469
(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130723594
1-(2-piperidin-4-yloxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 55251141
N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
CID 66271101
[1-(4-methoxybutyl)azepan-2-yl]methanol
CID 116637260
1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane
CID 103414508

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-piperidin-4-ylazepane?
The IUPAC name of 1-(3-methoxypropyl)-2-piperidin-4-ylazepane (CID 64852585) is 1-(3-methoxypropyl)-2-piperidin-4-ylazepane.
What is the SMILES notation for 1-(3-methoxypropyl)-2-piperidin-4-ylazepane?
The canonical SMILES for 1-(3-methoxypropyl)-2-piperidin-4-ylazepane is COCCCN1CCCCCC1C1CCNCC1.
What is the InChIKey of 1-(3-methoxypropyl)-2-piperidin-4-ylazepane?
The InChIKey is WCQJHBSOHRPHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-18-13-5-12-17-11-4-2-3-6-15(17)14-7-9-16-10-8-14/h14-16H,2-13H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-2-piperidin-4-ylazepane?
1-(3-methoxypropyl)-2-piperidin-4-ylazepane has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-piperidin-4-ylazepane is sourced from PubChem (CID 64852585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).