2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol

C12H26N2O — CID 81418718

IUPAC2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC1CCCN(C)C1
InChIInChI=1S/C12H26N2O/c1-4-12(2,10-15)9-13-11-6-5-7-14(3)8-11/h11,13,15H,4-10H2,1-3H3
InChIKeyBVQRSHTXVZZFGB-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

About 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol

2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol (PubChem CID 81418718) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol
PubChem CID81418718
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC1CCCN(C)C1
InChIInChI=1S/C12H26N2O/c1-4-12(2,10-15)9-13-11-6-5-7-14(3)8-11/h11,13,15H,4-10H2,1-3H3
InChIKeyBVQRSHTXVZZFGB-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]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

Related Compounds

2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol
CID 81412995
2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol
CID 81399779
2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
CID 103904654
2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115204269
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115220242
N,1-dimethylpiperidin-3-amine;ethanol
CID 91223318
tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate
CID 103828072
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
1-[4-[[2-(hydroxymethyl)-2-methylbutyl]amino]piperidin-1-yl]-2-methylpropan-1-one
CID 81412936
2-methyl-1-[(1-methylazepan-4-yl)amino]propan-2-ol
CID 65102952
N-(3-methoxy-3-methylbutyl)-1-methylpiperidin-3-amine
CID 106675409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol (CID 81418718) is 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol is CCC(C)(CO)CNC1CCCN(C)C1.
What is the InChIKey of 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol?
The InChIKey is BVQRSHTXVZZFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12(2,10-15)9-13-11-6-5-7-14(3)8-11/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol?
2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 81418718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).