N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine

C17H28N2 — CID 62430351

IUPACN-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CCC(C)CC2C)cc1
InChIInChI=1S/C17H28N2/c1-4-18-12-16-5-7-17(8-6-16)13-19-10-9-14(2)11-15(19)3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyQFKWOAOJYNISFZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.42
Rot. Bonds5

About N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 62430351) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID62430351
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CCC(C)CC2C)cc1
InChIInChI=1S/C17H28N2/c1-4-18-12-16-5-7-17(8-6-16)13-19-10-9-14(2)11-15(19)3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyQFKWOAOJYNISFZ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine with MolForge

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Related Compounds

[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438410
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 55073687
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
N-[[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]ethanamine
CID 79933916
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
N-[[3-bromo-4-[(2,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772024
N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 105346402
2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63469493
4-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 62464715
4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883370
5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 62892235

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine (CID 62430351) is N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(CN2CCC(C)CC2C)cc1.
What is the InChIKey of N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is QFKWOAOJYNISFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-12-16-5-7-17(8-6-16)13-19-10-9-14(2)11-15(19)3/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62430351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).