4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol

C14H28N2O — CID 79354897

IUPAC4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H28N2O/c1-14(2,17)7-9-16-8-3-4-12(11-16)10-15-13-5-6-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyJJKDDIZCMHEHPR-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds6

About 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol

4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol (PubChem CID 79354897) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
PubChem CID79354897
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H28N2O/c1-14(2,17)7-9-16-8-3-4-12(11-16)10-15-13-5-6-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyJJKDDIZCMHEHPR-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-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-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol (CID 79354897) is 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol is CC(C)(O)CCN1CCCC(CNC2CC2)C1.
What is the InChIKey of 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is JJKDDIZCMHEHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,17)7-9-16-8-3-4-12(11-16)10-15-13-5-6-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol?
4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 79354897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).