1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine

C19H32N2 — CID 79060651

IUPAC1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
SMILESCCc1ccc(C(NC)C(C)(CC)N2CCCCC2)cc1
InChIInChI=1S/C19H32N2/c1-5-16-10-12-17(13-11-16)18(20-4)19(3,6-2)21-14-8-7-9-15-21/h10-13,18,20H,5-9,14-15H2,1-4H3
InChIKeyBRIXGOGHNJMYDJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.16
Rot. Bonds6

About 1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine

1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 79060651) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
PubChem CID79060651
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
SMILESCCc1ccc(C(NC)C(C)(CC)N2CCCCC2)cc1
InChIInChI=1S/C19H32N2/c1-5-16-10-12-17(13-11-16)18(20-4)19(3,6-2)21-14-8-7-9-15-21/h10-13,18,20H,5-9,14-15H2,1-4H3
InChIKeyBRIXGOGHNJMYDJ-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-ethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241199
N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79059314
1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79059308
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069276
1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068490
1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060075
[1-(4-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241337
N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine
CID 79065903
1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43484643
1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059844
1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79064925

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine (CID 79060651) is 1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine is CCc1ccc(C(NC)C(C)(CC)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is BRIXGOGHNJMYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-16-10-12-17(13-11-16)18(20-4)19(3,6-2)21-14-8-7-9-15-21/h10-13,18,20H,5-9,14-15H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79060651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).