N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine

C17H26N2 — CID 83991454

IUPACN-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine
SMILESCCc1ccc(C2CC(NC3CC3)CN(C)C2)cc1
InChIInChI=1S/C17H26N2/c1-3-13-4-6-14(7-5-13)15-10-17(12-19(2)11-15)18-16-8-9-16/h4-7,15-18H,3,8-12H2,1-2H3
InChIKeyHWLWWTJVWNURJM-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.79
Rot. Bonds4

About N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine

N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine (PubChem CID 83991454) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine
PubChem CID83991454
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine
SMILESCCc1ccc(C2CC(NC3CC3)CN(C)C2)cc1
InChIInChI=1S/C17H26N2/c1-3-13-4-6-14(7-5-13)15-10-17(12-19(2)11-15)18-16-8-9-16/h4-7,15-18H,3,8-12H2,1-2H3
InChIKeyHWLWWTJVWNURJM-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-1-methyl-5-(4-methylphenyl)piperidin-3-amine
CID 83999699
N-cyclopentyl-1-methyl-5-phenylpiperidin-3-amine
CID 83999692
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992089
N-cyclohexyl-1-ethyl-5-phenylpiperidin-3-amine
CID 83999040
[4-(1-methylazetidin-3-yl)phenyl]methanamine
CID 83827683
N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide
CID 112541665
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine
CID 61210851
4-(4-ethylphenyl)-1-propan-2-ylpiperidine
CID 69073931
N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
CID 61211031
1-ethyl-N-(3-phenylcyclobutyl)piperidin-4-amine
CID 54917521

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine?
The IUPAC name of N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine (CID 83991454) is N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine is CCc1ccc(C2CC(NC3CC3)CN(C)C2)cc1.
What is the InChIKey of N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine?
The InChIKey is HWLWWTJVWNURJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-13-4-6-14(7-5-13)15-10-17(12-19(2)11-15)18-16-8-9-16/h4-7,15-18H,3,8-12H2,1-2H3.
What are the key properties of N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine?
N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine has a molecular weight of 258.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(4-ethylphenyl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 83991454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).