(1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine

C13H28N2O — CID 104973889

IUPAC(1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine
SMILESCCCC(CC)N1CCC(OC)CC1CN
InChIInChI=1S/C13H28N2O/c1-4-6-11(5-2)15-8-7-13(16-3)9-12(15)10-14/h11-13H,4-10,14H2,1-3H3
InChIKeyXRNHUTQLMXITTH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds6

About (1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine

(1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine (PubChem CID 104973889) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine
PubChem CID104973889
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine
SMILESCCCC(CC)N1CCC(OC)CC1CN
InChIInChI=1S/C13H28N2O/c1-4-6-11(5-2)15-8-7-13(16-3)9-12(15)10-14/h11-13H,4-10,14H2,1-3H3
InChIKeyXRNHUTQLMXITTH-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine?
The IUPAC name of (1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine (CID 104973889) is (1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine.
What is the SMILES notation for (1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine?
The canonical SMILES for (1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine is CCCC(CC)N1CCC(OC)CC1CN.
What is the InChIKey of (1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine?
The InChIKey is XRNHUTQLMXITTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-6-11(5-2)15-8-7-13(16-3)9-12(15)10-14/h11-13H,4-10,14H2,1-3H3.
What are the key properties of (1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine?
(1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexan-3-yl-4-methoxypiperidin-2-yl)methanamine is sourced from PubChem (CID 104973889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).