N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane

C18H32N2 — CID 143528661

IUPACN,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane
SMILESCC.CCN1CCC(N(CC)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2.C2H6/c1-4-17-12-10-16(11-13-17)18(5-2)15-8-6-14(3)7-9-15;1-2/h6-9,16H,4-5,10-13H2,1-3H3;1-2H3
InChIKeyGGTJARKJSZLLNB-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.33
Rot. Bonds4

About N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane

N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane (PubChem CID 143528661) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane.

Molecular Properties

Compound NameN,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane
PubChem CID143528661
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane
SMILESCC.CCN1CCC(N(CC)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2.C2H6/c1-4-17-12-10-16(11-13-17)18(5-2)15-8-6-14(3)7-9-15;1-2/h6-9,16H,4-5,10-13H2,1-3H3;1-2H3
InChIKeyGGTJARKJSZLLNB-UHFFFAOYSA-N
XLogP4.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
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,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane?
The IUPAC name of N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane (CID 143528661) is N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane.
What is the SMILES notation for N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane?
The canonical SMILES for N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane is CC.CCN1CCC(N(CC)c2ccc(C)cc2)CC1.
What is the InChIKey of N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane?
The InChIKey is GGTJARKJSZLLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C2H6/c1-4-17-12-10-16(11-13-17)18(5-2)15-8-6-14(3)7-9-15;1-2/h6-9,16H,4-5,10-13H2,1-3H3;1-2H3.
What are the key properties of N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane?
N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane has a molecular weight of 276.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane is sourced from PubChem (CID 143528661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).