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

C13H28N2O — CID 65107935

IUPAC2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
SMILESCCC(C)(O)CNC1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-5-13(4,16)10-14-12-6-8-15(9-7-12)11(2)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeyXBVDHGCKNRCOMM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds5

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

2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol (PubChem CID 65107935) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
PubChem CID65107935
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
SMILESCCC(C)(O)CNC1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-5-13(4,16)10-14-12-6-8-15(9-7-12)11(2)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeyXBVDHGCKNRCOMM-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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

Related Compounds

2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 113261880
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
CID 65103038
2-N,2-N,2-trimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 28651810
N-(2-methyl-2-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 115726046
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
2-methyl-1-[(4-propan-2-ylcycloheptyl)amino]butan-2-ol
CID 65102608
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
CID 65333127
N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 60693742
N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 63859794
(2R)-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 93033302
2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol
CID 65108384
4,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]pentan-2-ol
CID 103784472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol (CID 65107935) is 2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol is CCC(C)(O)CNC1CCN(C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol?
The InChIKey is XBVDHGCKNRCOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(4,16)10-14-12-6-8-15(9-7-12)11(2)3/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol?
2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 65107935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).