N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine

C19H32N2 — CID 83993485

IUPACN-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
SMILESCCN1CC(CC(C)(C)C)CC(NCc2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-5-21-14-17(12-19(2,3)4)11-18(15-21)20-13-16-9-7-6-8-10-16/h6-10,17-18,20H,5,11-15H2,1-4H3
InChIKeyXWGZTOADFFVDTF-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.92
Rot. Bonds5

About N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine

N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine (PubChem CID 83993485) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
PubChem CID83993485
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
SMILESCCN1CC(CC(C)(C)C)CC(NCc2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-5-21-14-17(12-19(2,3)4)11-18(15-21)20-13-16-9-7-6-8-10-16/h6-10,17-18,20H,5,11-15H2,1-4H3
InChIKeyXWGZTOADFFVDTF-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83994003
ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494
5-benzyl-1-ethyl-N-methylpiperidin-3-amine
CID 83989565
N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
CID 83993960
N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
CID 83993911
5-benzyl-N-(cyclobutylmethyl)-1-ethylpiperidin-3-amine
CID 83996943
N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide
CID 112542121
1-[3-(benzylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanone
CID 83993688
methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
CID 83993524
N-benzyl-5-butyl-1-methylpiperidin-3-amine
CID 83993440
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993793

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine?
The IUPAC name of N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine (CID 83993485) is N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine?
The canonical SMILES for N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine is CCN1CC(CC(C)(C)C)CC(NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine?
The InChIKey is XWGZTOADFFVDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21-14-17(12-19(2,3)4)11-18(15-21)20-13-16-9-7-6-8-10-16/h6-10,17-18,20H,5,11-15H2,1-4H3.
What are the key properties of N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine?
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine has a molecular weight of 288.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 83993485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).