2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol

C12H26N2O — CID 79356027

IUPAC2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
SMILESCNCC1CCN(CCC(C)(C)O)CC1
InChIInChI=1S/C12H26N2O/c1-12(2,15)6-9-14-7-4-11(5-8-14)10-13-3/h11,13,15H,4-10H2,1-3H3
InChIKeyDFSPKTKGULILOK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

About 2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol

2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol (PubChem CID 79356027) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
PubChem CID79356027
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
SMILESCNCC1CCN(CCC(C)(C)O)CC1
InChIInChI=1S/C12H26N2O/c1-12(2,15)6-9-14-7-4-11(5-8-14)10-13-3/h11,13,15H,4-10H2,1-3H3
InChIKeyDFSPKTKGULILOK-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

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Related Compounds

1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838867
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
CID 79316334
2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496429
N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119922597
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530
1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone
CID 79355582
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
CID 115316873
1-[1-(aminomethyl)piperidin-4-yl]-N-methylmethanamine
CID 146320414
4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol
CID 79359785
N-methyl-4-(methylaminomethyl)piperidin-1-amine
CID 123789266
methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate
CID 79823137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol (CID 79356027) is 2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol is CNCC1CCN(CCC(C)(C)O)CC1.
What is the InChIKey of 2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol?
The InChIKey is DFSPKTKGULILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,15)6-9-14-7-4-11(5-8-14)10-13-3/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol?
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-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-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 79356027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).