2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine

C18H30N2 — CID 105347818

IUPAC2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine
SMILESCCNCCc1ccc(CN2CCCC(C)(C)C2)cc1
InChIInChI=1S/C18H30N2/c1-4-19-12-10-16-6-8-17(9-7-16)14-20-13-5-11-18(2,3)15-20/h6-9,19H,4-5,10-15H2,1-3H3
InChIKeyVXUZYCSZFFCKJH-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds6

About 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine

2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine (PubChem CID 105347818) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine
PubChem CID105347818
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine
SMILESCCNCCc1ccc(CN2CCCC(C)(C)C2)cc1
InChIInChI=1S/C18H30N2/c1-4-19-12-10-16-6-8-17(9-7-16)14-20-13-5-11-18(2,3)15-20/h6-9,19H,4-5,10-15H2,1-3H3
InChIKeyVXUZYCSZFFCKJH-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine?
The IUPAC name of 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine (CID 105347818) is 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine.
What is the SMILES notation for 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine?
The canonical SMILES for 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine is CCNCCc1ccc(CN2CCCC(C)(C)C2)cc1.
What is the InChIKey of 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine?
The InChIKey is VXUZYCSZFFCKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-19-12-10-16-6-8-17(9-7-16)14-20-13-5-11-18(2,3)15-20/h6-9,19H,4-5,10-15H2,1-3H3.
What are the key properties of 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine?
2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine is sourced from PubChem (CID 105347818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).