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

C16H26N2 — CID 62932460

IUPACN-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1N1CCC(C)(C)CC1
InChIInChI=1S/C16H26N2/c1-4-17-13-14-7-5-6-8-15(14)18-11-9-16(2,3)10-12-18/h5-8,17H,4,9-13H2,1-3H3
InChIKeyLGHMFXJGVZOKFQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.42
Rot. Bonds4

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

N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 62932460) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID62932460
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1N1CCC(C)(C)CC1
InChIInChI=1S/C16H26N2/c1-4-17-13-14-7-5-6-8-15(14)18-11-9-16(2,3)10-12-18/h5-8,17H,4,9-13H2,1-3H3
InChIKeyLGHMFXJGVZOKFQ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55155178
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63551607
N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62369129
3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol
CID 103356921
N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine
CID 79677271
2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62890361
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499393
1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621560
N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678
4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
CID 43281159
N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
CID 113342039
N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851009

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 62932460) is N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccccc1N1CCC(C)(C)CC1.
What is the InChIKey of N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is LGHMFXJGVZOKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-17-13-14-7-5-6-8-15(14)18-11-9-16(2,3)10-12-18/h5-8,17H,4,9-13H2,1-3H3.
What are the key properties of N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62932460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).