1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine

C10H22N2O — CID 116914570

IUPAC1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCOC(C1CCN(C)CC1)N(C)C
InChIInChI=1S/C10H22N2O/c1-11(2)10(13-4)9-5-7-12(3)8-6-9/h9-10H,5-8H2,1-4H3
InChIKeyBVPBZLKRIPEQSS-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.86
Rot. Bonds3

About 1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine

1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 116914570) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID116914570
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCOC(C1CCN(C)CC1)N(C)C
InChIInChI=1S/C10H22N2O/c1-11(2)10(13-4)9-5-7-12(3)8-6-9/h9-10H,5-8H2,1-4H3
InChIKeyBVPBZLKRIPEQSS-UHFFFAOYSA-N
XLogP0.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of 1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine (CID 116914570) is 1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for 1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for 1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine is COC(C1CCN(C)CC1)N(C)C.
What is the InChIKey of 1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is BVPBZLKRIPEQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-11(2)10(13-4)9-5-7-12(3)8-6-9/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine?
1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 186.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 116914570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).