N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine

C21H28N2 — CID 83993793

IUPACN-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine
SMILESCCC1CC(NCc2ccccc2)CN(c2ccc(C)cc2)C1
InChIInChI=1S/C21H28N2/c1-3-18-13-20(22-14-19-7-5-4-6-8-19)16-23(15-18)21-11-9-17(2)10-12-21/h4-12,18,20,22H,3,13-16H2,1-2H3
InChIKeyYLTQWTZWCUFNKL-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.39
Rot. Bonds5

About N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine

N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine (PubChem CID 83993793) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine
PubChem CID83993793
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine
SMILESCCC1CC(NCc2ccccc2)CN(c2ccc(C)cc2)C1
InChIInChI=1S/C21H28N2/c1-3-18-13-20(22-14-19-7-5-4-6-8-19)16-23(15-18)21-11-9-17(2)10-12-21/h4-12,18,20,22H,3,13-16H2,1-2H3
InChIKeyYLTQWTZWCUFNKL-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.39
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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Related Compounds

N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
CID 83995125
N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
CID 83993960
N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913534
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485
2-[5-(ethylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83990423
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
N-benzyl-5-butyl-1-methylpiperidin-3-amine
CID 83993440
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494
N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
CID 83993911
[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
CID 111466478

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine?
The IUPAC name of N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine (CID 83993793) is N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine.
What is the SMILES notation for N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine?
The canonical SMILES for N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine is CCC1CC(NCc2ccccc2)CN(c2ccc(C)cc2)C1.
What is the InChIKey of N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine?
The InChIKey is YLTQWTZWCUFNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-3-18-13-20(22-14-19-7-5-4-6-8-19)16-23(15-18)21-11-9-17(2)10-12-21/h4-12,18,20,22H,3,13-16H2,1-2H3.
What are the key properties of N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine?
N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine has a molecular weight of 308.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 83993793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).