(4-methoxy-1-nonylpiperidin-2-yl)methanamine

C16H34N2O — CID 112622577

IUPAC(4-methoxy-1-nonylpiperidin-2-yl)methanamine
SMILESCCCCCCCCCN1CCC(OC)CC1CN
InChIInChI=1S/C16H34N2O/c1-3-4-5-6-7-8-9-11-18-12-10-16(19-2)13-15(18)14-17/h15-16H,3-14,17H2,1-2H3
InChIKeyZMZHLJQEMSNWNA-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.18
Rot. Bonds10

About (4-methoxy-1-nonylpiperidin-2-yl)methanamine

(4-methoxy-1-nonylpiperidin-2-yl)methanamine (PubChem CID 112622577) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is (4-methoxy-1-nonylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-nonylpiperidin-2-yl)methanamine
PubChem CID112622577
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name(4-methoxy-1-nonylpiperidin-2-yl)methanamine
SMILESCCCCCCCCCN1CCC(OC)CC1CN
InChIInChI=1S/C16H34N2O/c1-3-4-5-6-7-8-9-11-18-12-10-16(19-2)13-15(18)14-17/h15-16H,3-14,17H2,1-2H3
InChIKeyZMZHLJQEMSNWNA-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-nonylpiperidin-2-yl)methanamine?
The IUPAC name of (4-methoxy-1-nonylpiperidin-2-yl)methanamine (CID 112622577) is (4-methoxy-1-nonylpiperidin-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-nonylpiperidin-2-yl)methanamine?
The canonical SMILES for (4-methoxy-1-nonylpiperidin-2-yl)methanamine is CCCCCCCCCN1CCC(OC)CC1CN.
What is the InChIKey of (4-methoxy-1-nonylpiperidin-2-yl)methanamine?
The InChIKey is ZMZHLJQEMSNWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-3-4-5-6-7-8-9-11-18-12-10-16(19-2)13-15(18)14-17/h15-16H,3-14,17H2,1-2H3.
What are the key properties of (4-methoxy-1-nonylpiperidin-2-yl)methanamine?
(4-methoxy-1-nonylpiperidin-2-yl)methanamine has a molecular weight of 270.46 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-nonylpiperidin-2-yl)methanamine is sourced from PubChem (CID 112622577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).