2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol

C13H28N2O — CID 106291066

IUPAC2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol
SMILESCCCC(C)(O)CNCC1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-4-7-13(2,16)11-14-10-12-5-8-15(3)9-6-12/h12,14,16H,4-11H2,1-3H3
InChIKeyMFJCFQJGNUMCHM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds6

About 2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol

2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol (PubChem CID 106291066) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol
PubChem CID106291066
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol
SMILESCCCC(C)(O)CNCC1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-4-7-13(2,16)11-14-10-12-5-8-15(3)9-6-12/h12,14,16H,4-11H2,1-3H3
InChIKeyMFJCFQJGNUMCHM-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-methylpentyl)amino]acetamide
CID 106292896
1-(cyclohex-3-en-1-ylmethylamino)-2-methylpentan-2-ol
CID 115756802
2,2-difluoro-3-[(1-methylpiperidin-4-yl)methylamino]propan-1-ol
CID 106173015
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide
CID 63859267
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
2-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106290472
2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79708398
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol
CID 114164684
N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide
CID 106290239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol (CID 106291066) is 2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol is CCCC(C)(O)CNCC1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol?
The InChIKey is MFJCFQJGNUMCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-13(2,16)11-14-10-12-5-8-15(3)9-6-12/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol?
2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 106291066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).