3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol

C12H26N2O2 — CID 107391776

IUPAC3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol
SMILESCCC(N)C(CO)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H26N2O2/c1-4-10(13)11(8-15)14-7-5-6-12(2,9-14)16-3/h10-11,15H,4-9,13H2,1-3H3
InChIKeyHMSJBVDOVFAELZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.59
Rot. Bonds5

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

3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol (PubChem CID 107391776) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol
PubChem CID107391776
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol
SMILESCCC(N)C(CO)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H26N2O2/c1-4-10(13)11(8-15)14-7-5-6-12(2,9-14)16-3/h10-11,15H,4-9,13H2,1-3H3
InChIKeyHMSJBVDOVFAELZ-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol (CID 107391776) is 3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol is CCC(N)C(CO)N1CCCC(C)(OC)C1.
What is the InChIKey of 3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol?
The InChIKey is HMSJBVDOVFAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-10(13)11(8-15)14-7-5-6-12(2,9-14)16-3/h10-11,15H,4-9,13H2,1-3H3.
What are the key properties of 3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol?
3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol is sourced from PubChem (CID 107391776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).