N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine

C17H28N2 — CID 112677727

IUPACN-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1N1CCC(C)CC1
InChIInChI=1S/C17H28N2/c1-4-16(18-5-2)15-8-6-7-9-17(15)19-12-10-14(3)11-13-19/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyCXIREAPWLCPAQR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.98
Rot. Bonds5

About N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine

N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine (PubChem CID 112677727) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
PubChem CID112677727
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1N1CCC(C)CC1
InChIInChI=1S/C17H28N2/c1-4-16(18-5-2)15-8-6-7-9-17(15)19-12-10-14(3)11-13-19/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyCXIREAPWLCPAQR-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-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-[1-[2-[1-(ethylamino)propyl]phenyl]piperidin-4-yl]ethanol
CID 106836305
1-[2-(4-ethoxypiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115994916
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 112677950
1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995307
1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 115995389
1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
CID 115995191
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785
[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
CID 112677818
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995156
1-(2-morpholin-4-ylphenyl)-N-propylpropan-1-amine
CID 112677731

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine (CID 112677727) is N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine is CCNC(CC)c1ccccc1N1CCC(C)CC1.
What is the InChIKey of N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine?
The InChIKey is CXIREAPWLCPAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-16(18-5-2)15-8-6-7-9-17(15)19-12-10-14(3)11-13-19/h6-9,14,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine?
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 112677727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).