1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine

C17H28N2 — CID 117025017

IUPAC1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine
SMILESCCc1ccccc1N1CCC(CNC)C(C)(C)C1
InChIInChI=1S/C17H28N2/c1-5-14-8-6-7-9-16(14)19-11-10-15(12-18-4)17(2,3)13-19/h6-9,15,18H,5,10-13H2,1-4H3
InChIKeyHMTCTZHZULILCK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.32
Rot. Bonds4

About 1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine

1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 117025017) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine
PubChem CID117025017
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine
SMILESCCc1ccccc1N1CCC(CNC)C(C)(C)C1
InChIInChI=1S/C17H28N2/c1-5-14-8-6-7-9-16(14)19-11-10-15(12-18-4)17(2,3)13-19/h6-9,15,18H,5,10-13H2,1-4H3
InChIKeyHMTCTZHZULILCK-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine
CID 117017824
[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024878
2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024704
[1-(2-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024876
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
2-[3,3-dimethyl-1-(2-methylphenyl)piperidin-4-yl]acetic acid
CID 117024644
N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513878
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
2-[4-(2-aminoethyl)-3,3-dimethylpiperidin-1-yl]benzonitrile
CID 117024828
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 55159520
(3R,4R)-1-(2-ethylphenyl)-3-fluoropiperidin-4-amine
CID 174552851

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine (CID 117025017) is 1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine is CCc1ccccc1N1CCC(CNC)C(C)(C)C1.
What is the InChIKey of 1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is HMTCTZHZULILCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-14-8-6-7-9-16(14)19-11-10-15(12-18-4)17(2,3)13-19/h6-9,15,18H,5,10-13H2,1-4H3.
What are the key properties of 1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine?
1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 117025017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).