3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol

C13H27N3O — CID 114356481

IUPAC3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
SMILESCN1CCC(N(C)C(CO)C(N)C2CC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-7-5-11(6-8-15)16(2)12(9-17)13(14)10-3-4-10/h10-13,17H,3-9,14H2,1-2H3
InChIKeyHJJVBRONDLOXKV-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.11
Rot. Bonds5

About 3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol

3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol (PubChem CID 114356481) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
PubChem CID114356481
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
SMILESCN1CCC(N(C)C(CO)C(N)C2CC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-7-5-11(6-8-15)16(2)12(9-17)13(14)10-3-4-10/h10-13,17H,3-9,14H2,1-2H3
InChIKeyHJJVBRONDLOXKV-UHFFFAOYSA-N
XLogP0.11
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol (CID 114356481) is 3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol is CN1CCC(N(C)C(CO)C(N)C2CC2)CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol?
The InChIKey is HJJVBRONDLOXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15-7-5-11(6-8-15)16(2)12(9-17)13(14)10-3-4-10/h10-13,17H,3-9,14H2,1-2H3.
What are the key properties of 3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol?
3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol has a molecular weight of 241.38 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 114356481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).