4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol

C15H33N3O — CID 64898823

IUPAC4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)C1CCN(CC)CC1
InChIInChI=1S/C15H33N3O/c1-4-9-16-14(8-12-19)13-17(3)15-6-10-18(5-2)11-7-15/h14-16,19H,4-13H2,1-3H3
InChIKeyHPCUXUXPXYVNDB-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.15
Rot. Bonds9

About 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol

4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol (PubChem CID 64898823) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
PubChem CID64898823
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)C1CCN(CC)CC1
InChIInChI=1S/C15H33N3O/c1-4-9-16-14(8-12-19)13-17(3)15-6-10-18(5-2)11-7-15/h14-16,19H,4-13H2,1-3H3
InChIKeyHPCUXUXPXYVNDB-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol?
The IUPAC name of 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol (CID 64898823) is 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol is CCCNC(CCO)CN(C)C1CCN(CC)CC1.
What is the InChIKey of 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol?
The InChIKey is HPCUXUXPXYVNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-4-9-16-14(8-12-19)13-17(3)15-6-10-18(5-2)11-7-15/h14-16,19H,4-13H2,1-3H3.
What are the key properties of 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol?
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol has a molecular weight of 271.45 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64898823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).