2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol

C13H28N2O — CID 65333127

IUPAC2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
SMILESCC(C)N1CCC(NC(C)C(C)(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-10(2)15-8-6-12(7-9-15)14-11(3)13(4,5)16/h10-12,14,16H,6-9H2,1-5H3
InChIKeyNFWXYAIZVNFTOO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds4

About 2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol

2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol (PubChem CID 65333127) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
PubChem CID65333127
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
SMILESCC(C)N1CCC(NC(C)C(C)(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-10(2)15-8-6-12(7-9-15)14-11(3)13(4,5)16/h10-12,14,16H,6-9H2,1-5H3
InChIKeyNFWXYAIZVNFTOO-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 167493168
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol (CID 65333127) is 2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol is CC(C)N1CCC(NC(C)C(C)(C)O)CC1.
What is the InChIKey of 2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol?
The InChIKey is NFWXYAIZVNFTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)15-8-6-12(7-9-15)14-11(3)13(4,5)16/h10-12,14,16H,6-9H2,1-5H3.
What are the key properties of 2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol?
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 65333127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).