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

C12H26N2O — CID 59084892

IUPAC(2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol
SMILESCC(C)C[C@H](CO)NC1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-10(2)8-12(9-15)13-11-4-6-14(3)7-5-11/h10-13,15H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyUJSBAWCBQHPUEI-GFCCVEGCSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

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

(2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol (PubChem CID 59084892) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol
PubChem CID59084892
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol
SMILESCC(C)C[C@H](CO)NC1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-10(2)8-12(9-15)13-11-4-6-14(3)7-5-11/h10-13,15H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyUJSBAWCBQHPUEI-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol (CID 59084892) is (2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol is CC(C)C[C@H](CO)NC1CCN(C)CC1.
What is the InChIKey of (2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol?
The InChIKey is UJSBAWCBQHPUEI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)8-12(9-15)13-11-4-6-14(3)7-5-11/h10-13,15H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol?
(2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-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 (2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 59084892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).