N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C18H28N2O — CID 62871140

IUPACN-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOc1ccc(NC2CCN(CC=C(C)C)CC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-14(2)7-10-20-11-8-16(9-12-20)19-18-6-5-17(21-4)13-15(18)3/h5-7,13,16,19H,8-12H2,1-4H3
InChIKeySUOGKJFJXYQGSS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.85
Rot. Bonds5

About N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 62871140) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID62871140
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOc1ccc(NC2CCN(CC=C(C)C)CC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-14(2)7-10-20-11-8-16(9-12-20)19-18-6-5-17(21-4)13-15(18)3/h5-7,13,16,19H,8-12H2,1-4H3
InChIKeySUOGKJFJXYQGSS-UHFFFAOYSA-N
XLogP3.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
1-(3-methylbut-2-enyl)-N-(2,4,5-trichlorophenyl)piperidin-4-amine
CID 43759083
2-methyl-5-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]phenol
CID 107700226
N-(4-methoxy-2-methylphenyl)-1-oxothian-4-amine
CID 62871144
N-(2-bromo-5-chloro-4-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 104722912
N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758624
N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline
CID 63477895
N-(5-bromo-2-chlorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 63477729
N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 107582294
N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 118777190
1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56568752

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 62871140) is N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is COc1ccc(NC2CCN(CC=C(C)C)CC2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is SUOGKJFJXYQGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)7-10-20-11-8-16(9-12-20)19-18-6-5-17(21-4)13-15(18)3/h5-7,13,16,19H,8-12H2,1-4H3.
What are the key properties of N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 62871140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).