N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine

C17H28N2 — CID 117020203

IUPACN,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine
SMILESCNC1CCN(c2ccccc2C(C)C)C(C)(C)C1
InChIInChI=1S/C17H28N2/c1-13(2)15-8-6-7-9-16(15)19-11-10-14(18-5)12-17(19,3)4/h6-9,13-14,18H,10-12H2,1-5H3
InChIKeyDEVSVKYMTSJFRP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.78
Rot. Bonds3

About N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine

N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine (PubChem CID 117020203) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine
PubChem CID117020203
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine
SMILESCNC1CCN(c2ccccc2C(C)C)C(C)(C)C1
InChIInChI=1S/C17H28N2/c1-13(2)15-8-6-7-9-16(15)19-11-10-14(18-5)12-17(19,3)4/h6-9,13-14,18H,10-12H2,1-5H3
InChIKeyDEVSVKYMTSJFRP-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712367
2-[2,2-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]acetonitrile
CID 117017498
1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
CID 61432642
1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020209
1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine
CID 43315030
1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020196
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62936574
N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine
CID 79678667
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine
CID 174262939
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine?
The IUPAC name of N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine (CID 117020203) is N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine.
What is the SMILES notation for N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine?
The canonical SMILES for N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine is CNC1CCN(c2ccccc2C(C)C)C(C)(C)C1.
What is the InChIKey of N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine?
The InChIKey is DEVSVKYMTSJFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)15-8-6-7-9-16(15)19-11-10-14(18-5)12-17(19,3)4/h6-9,13-14,18H,10-12H2,1-5H3.
What are the key properties of N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine?
N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine is sourced from PubChem (CID 117020203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).