N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine

C18H29N3 — CID 43223634

IUPACN-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H29N3/c1-2-20-11-8-17(9-12-20)19-18-10-13-21(15-18)14-16-6-4-3-5-7-16/h3-7,17-19H,2,8-15H2,1H3
InChIKeyDGGBHVZLXHGDEO-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.33
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine

N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine (PubChem CID 43223634) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
PubChem CID43223634
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H29N3/c1-2-20-11-8-17(9-12-20)19-18-10-13-21(15-18)14-16-6-4-3-5-7-16/h3-7,17-19H,2,8-15H2,1H3
InChIKeyDGGBHVZLXHGDEO-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
CID 65070074
1-benzyl-N-(1,1-dioxothian-4-yl)pyrrolidin-3-amine
CID 43615007
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325
1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
CID 61308788
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine
CID 102671339
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(5,5-dimethylthian-3-yl)pyrrolidin-3-amine
CID 79953618
N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine
CID 95219570
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine (CID 43223634) is N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine is CCN1CCC(NC2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine?
The InChIKey is DGGBHVZLXHGDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-20-11-8-17(9-12-20)19-18-10-13-21(15-18)14-16-6-4-3-5-7-16/h3-7,17-19H,2,8-15H2,1H3.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine?
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine has a molecular weight of 287.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine is sourced from PubChem (CID 43223634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).