2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine

C16H34N2O — CID 103225146

IUPAC2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-6-9-17-12-15(13-19-5)18-10-7-14(8-11-18)16(2,3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyOQVFYEKBIJIEJY-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds7

About 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine

2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 103225146) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine
PubChem CID103225146
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-6-9-17-12-15(13-19-5)18-10-7-14(8-11-18)16(2,3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyOQVFYEKBIJIEJY-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-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

1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
CID 103226506
3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103225133
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103226527
N-ethyl-3-methoxy-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503315
2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 55194853
N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494
2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226962
2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226580
N-[2-(4-ethoxypiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103225839
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
CID 103227390

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine (CID 103225146) is 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine is CCCNCC(COC)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is OQVFYEKBIJIEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-9-17-12-15(13-19-5)18-10-7-14(8-11-18)16(2,3)4/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine?
2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103225146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).