N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine

C16H26N2 — CID 114235731

IUPACN-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine
SMILESCCN(c1ccc(C)cc1)C1CCNCC1(C)C
InChIInChI=1S/C16H26N2/c1-5-18(14-8-6-13(2)7-9-14)15-10-11-17-12-16(15,3)4/h6-9,15,17H,5,10-12H2,1-4H3
InChIKeyBIXUEOAXFPWYQW-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds3

About N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine

N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine (PubChem CID 114235731) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine
PubChem CID114235731
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine
SMILESCCN(c1ccc(C)cc1)C1CCNCC1(C)C
InChIInChI=1S/C16H26N2/c1-5-18(14-8-6-13(2)7-9-14)15-10-11-17-12-16(15,3)4/h6-9,15,17H,5,10-12H2,1-4H3
InChIKeyBIXUEOAXFPWYQW-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine (CID 114235731) is N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine is CCN(c1ccc(C)cc1)C1CCNCC1(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine?
The InChIKey is BIXUEOAXFPWYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-18(14-8-6-13(2)7-9-14)15-10-11-17-12-16(15,3)4/h6-9,15,17H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine?
N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-N-(4-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 114235731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).