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

C12H26N2O — CID 115250861

IUPAC2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCC1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-3-11(10-15)8-13-9-12-4-6-14(2)7-5-12/h11-13,15H,3-10H2,1-2H3
InChIKeyLEPYMQXYLZSCFB-UHFFFAOYSA-N
MW214.35 g/mol
LogP0.94
Rot. Bonds6

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

2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol (PubChem CID 115250861) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol
PubChem CID115250861
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCC1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-3-11(10-15)8-13-9-12-4-6-14(2)7-5-12/h11-13,15H,3-10H2,1-2H3
InChIKeyLEPYMQXYLZSCFB-UHFFFAOYSA-N
XLogP0.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115251067
1-cyclopropyl-2-[(1-methylpiperidin-4-yl)methylamino]ethanol
CID 63295066
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanoic acid
CID 115249968
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile
CID 115253873
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
3-methoxy-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62657183
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 64583444
2-[[(1-methylpiperidin-4-yl)amino]methyl]pentan-1-ol
CID 142846746
2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 115256154
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55135059
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol (CID 115250861) is 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol is CCC(CO)CNCC1CCN(C)CC1.
What is the InChIKey of 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol?
The InChIKey is LEPYMQXYLZSCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-11(10-15)8-13-9-12-4-6-14(2)7-5-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol?
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115250861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).