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

C19H32N2 — CID 63551607

IUPACN-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1(C)CCN(c2ccccc2CNCC(C)C)CC1
InChIInChI=1S/C19H32N2/c1-5-19(4)10-12-21(13-11-19)18-9-7-6-8-17(18)15-20-14-16(2)3/h6-9,16,20H,5,10-15H2,1-4H3
InChIKeyKTRJEPJDVLSWBS-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.45
Rot. Bonds6

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

N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63551607) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63551607
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1(C)CCN(c2ccccc2CNCC(C)C)CC1
InChIInChI=1S/C19H32N2/c1-5-19(4)10-12-21(13-11-19)18-9-7-6-8-17(18)15-20-14-16(2)3/h6-9,16,20H,5,10-15H2,1-4H3
InChIKeyKTRJEPJDVLSWBS-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060169
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499393
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460
(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 78941147
1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793471
N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058724
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851009
N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 43585499
3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol
CID 103356921
3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione
CID 66062756

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 63551607) is N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is CCC1(C)CCN(c2ccccc2CNCC(C)C)CC1.
What is the InChIKey of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is KTRJEPJDVLSWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-19(4)10-12-21(13-11-19)18-9-7-6-8-17(18)15-20-14-16(2)3/h6-9,16,20H,5,10-15H2,1-4H3.
What are the key properties of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63551607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).