N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

C17H28N2 — CID 115615095

IUPACN-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCCc1ccc(CNCCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-3-15-4-6-17(7-5-15)14-18-11-8-16-9-12-19(2)13-10-16/h4-7,16,18H,3,8-14H2,1-2H3
InChIKeyZONSYSJEVJJBFX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 115615095) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID115615095
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCCc1ccc(CNCCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-3-15-4-6-17(7-5-15)14-18-11-8-16-9-12-19(2)13-10-16/h4-7,16,18H,3,8-14H2,1-2H3
InChIKeyZONSYSJEVJJBFX-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine 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

N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615117
N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115653390
N-[[4-(difluoromethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515163
2-bromo-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114515226
N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115907007
N-[(4-bromo-3-chlorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 103581684
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
N-[(3-bromophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615071
N-[(4-methoxy-3-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615017
2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 115978550
N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615001
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (CID 115615095) is N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is CCc1ccc(CNCCC2CCN(C)CC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is ZONSYSJEVJJBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-15-4-6-17(7-5-15)14-18-11-8-16-9-12-19(2)13-10-16/h4-7,16,18H,3,8-14H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 115615095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).