1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol

C13H28N2O2 — CID 107396020

IUPAC1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
SMILESCOC1(C)CCCN(CCCC(C)(O)CN)C1
InChIInChI=1S/C13H28N2O2/c1-12(16,10-14)6-4-8-15-9-5-7-13(2,11-15)17-3/h16H,4-11,14H2,1-3H3
InChIKeyMXZJKRLZWIUPOL-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.98
Rot. Bonds6

About 1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol

1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol (PubChem CID 107396020) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
PubChem CID107396020
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
SMILESCOC1(C)CCCN(CCCC(C)(O)CN)C1
InChIInChI=1S/C13H28N2O2/c1-12(16,10-14)6-4-8-15-9-5-7-13(2,11-15)17-3/h16H,4-11,14H2,1-3H3
InChIKeyMXZJKRLZWIUPOL-UHFFFAOYSA-N
XLogP0.98
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 107394776
1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
CID 64818975
N'-hydroxy-4-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 107392865
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
3-methoxy-3-methyl-1-pent-4-ynylpiperidine
CID 107394439
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid
CID 107394741
6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 107394621
4-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-3-ol
CID 114229284
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol (CID 107396020) is 1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol is COC1(C)CCCN(CCCC(C)(O)CN)C1.
What is the InChIKey of 1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol?
The InChIKey is MXZJKRLZWIUPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(16,10-14)6-4-8-15-9-5-7-13(2,11-15)17-3/h16H,4-11,14H2,1-3H3.
What are the key properties of 1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol?
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol is sourced from PubChem (CID 107396020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).