1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol

C13H28N2O2 — CID 102968987

IUPAC1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol
SMILESCOC1CN(C(C)CC(C)(O)CN)CCC1C
InChIInChI=1S/C13H28N2O2/c1-10-5-6-15(8-12(10)17-4)11(2)7-13(3,16)9-14/h10-12,16H,5-9,14H2,1-4H3
InChIKeyVWEGFOWRTISDCT-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.83
Rot. Bonds5

About 1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol

1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol (PubChem CID 102968987) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol
PubChem CID102968987
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol
SMILESCOC1CN(C(C)CC(C)(O)CN)CCC1C
InChIInChI=1S/C13H28N2O2/c1-10-5-6-15(8-12(10)17-4)11(2)7-13(3,16)9-14/h10-12,16H,5-9,14H2,1-4H3
InChIKeyVWEGFOWRTISDCT-UHFFFAOYSA-N
XLogP0.83
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 102968014
3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid
CID 102964894
1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64818490
2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
CID 102960462
4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102964864
2-(3-methoxy-4-methylpiperidin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine
CID 102965010
1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol
CID 64820469
4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 102965004
1-amino-2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentan-2-ol
CID 79937647
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393
3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 102967905
2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964868

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol (CID 102968987) is 1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol is COC1CN(C(C)CC(C)(O)CN)CCC1C.
What is the InChIKey of 1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol?
The InChIKey is VWEGFOWRTISDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10-5-6-15(8-12(10)17-4)11(2)7-13(3,16)9-14/h10-12,16H,5-9,14H2,1-4H3.
What are the key properties of 1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol?
1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol is sourced from PubChem (CID 102968987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).