(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine

C10H22N2O — CID 83907040

IUPAC(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
SMILESCOC1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2O/c1-9(2)12-6-4-10(8-11,13-3)5-7-12/h9H,4-8,11H2,1-3H3
InChIKeyOUNPSSVLCJKXHT-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds3

About (4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine

(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine (PubChem CID 83907040) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
PubChem CID83907040
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
SMILESCOC1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2O/c1-9(2)12-6-4-10(8-11,13-3)5-7-12/h9H,4-8,11H2,1-3H3
InChIKeyOUNPSSVLCJKXHT-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine?
The IUPAC name of (4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine (CID 83907040) is (4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine?
The canonical SMILES for (4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine is COC1(CN)CCN(C(C)C)CC1.
What is the InChIKey of (4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine?
The InChIKey is OUNPSSVLCJKXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)12-6-4-10(8-11,13-3)5-7-12/h9H,4-8,11H2,1-3H3.
What are the key properties of (4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine?
(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine is sourced from PubChem (CID 83907040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).