N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine

C17H28N2 — CID 80550763

IUPACN-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)c2ccccc2C)CC1
InChIInChI=1S/C17H28N2/c1-4-18-13-16-9-11-19(12-10-16)15(3)17-8-6-5-7-14(17)2/h5-8,15-16,18H,4,9-13H2,1-3H3
InChIKeyDRAXFVYYHYQBHU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds5

About N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 80550763) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
PubChem CID80550763
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)c2ccccc2C)CC1
InChIInChI=1S/C17H28N2/c1-4-18-13-16-9-11-19(12-10-16)15(3)17-8-6-5-7-14(17)2/h5-8,15-16,18H,4,9-13H2,1-3H3
InChIKeyDRAXFVYYHYQBHU-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]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-[[1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80551539
2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol
CID 80551485
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
N-[[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 82778922
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
CID 80550513
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61206350
N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550991
2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069636
N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine
CID 103465126

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine (CID 80550763) is N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(C(C)c2ccccc2C)CC1.
What is the InChIKey of N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is DRAXFVYYHYQBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-13-16-9-11-19(12-10-16)15(3)17-8-6-5-7-14(17)2/h5-8,15-16,18H,4,9-13H2,1-3H3.
What are the key properties of N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 80550763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).