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

C14H30N2O — CID 115134356

IUPAC3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol
SMILESCN1CCCC(CCN(C)C(C)(C)CCO)C1
InChIInChI=1S/C14H30N2O/c1-14(2,8-11-17)16(4)10-7-13-6-5-9-15(3)12-13/h13,17H,5-12H2,1-4H3
InChIKeyBHCCIORYUKRJMX-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.81
Rot. Bonds6

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

3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol (PubChem CID 115134356) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol
PubChem CID115134356
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol
SMILESCN1CCCC(CCN(C)C(C)(C)CCO)C1
InChIInChI=1S/C14H30N2O/c1-14(2,8-11-17)16(4)10-7-13-6-5-9-15(3)12-13/h13,17H,5-12H2,1-4H3
InChIKeyBHCCIORYUKRJMX-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol
CID 115134351
3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol
CID 115134352
2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol
CID 115133719
[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573
1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
CID 115136320
4-(1-methylpiperidin-3-yl)butan-1-ol
CID 70064070
3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol
CID 115134039
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propan-2-amine
CID 117044255
3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol
CID 116841111
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
2-(methylamino)-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]propanoic acid
CID 115256304
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 115160418

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol?
The IUPAC name of 3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol (CID 115134356) is 3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol is CN1CCCC(CCN(C)C(C)(C)CCO)C1.
What is the InChIKey of 3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol?
The InChIKey is BHCCIORYUKRJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,8-11-17)16(4)10-7-13-6-5-9-15(3)12-13/h13,17H,5-12H2,1-4H3.
What are the key properties of 3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol?
3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 115134356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).