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

C17H28N2 — CID 62331056

IUPACN-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CCN(c2ccccc2CNC(C)C)C(C)C1
InChIInChI=1S/C17H28N2/c1-13(2)18-12-16-7-5-6-8-17(16)19-10-9-14(3)11-15(19)4/h5-8,13-15,18H,9-12H2,1-4H3
InChIKeyWUBNLLXVZYZXCF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.81
Rot. Bonds4

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

N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 62331056) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID62331056
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CCN(c2ccccc2CNC(C)C)C(C)C1
InChIInChI=1S/C17H28N2/c1-13(2)18-12-16-7-5-6-8-17(16)19-10-9-14(3)11-15(19)4/h5-8,13-15,18H,9-12H2,1-4H3
InChIKeyWUBNLLXVZYZXCF-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114594233
N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542425
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 104690764
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]ethanol
CID 55061562
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 43281467
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995156
N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
CID 62205562
N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43373123
1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine
CID 62330685

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine (CID 62331056) is N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine is CC1CCN(c2ccccc2CNC(C)C)C(C)C1.
What is the InChIKey of N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is WUBNLLXVZYZXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)18-12-16-7-5-6-8-17(16)19-10-9-14(3)11-15(19)4/h5-8,13-15,18H,9-12H2,1-4H3.
What are the key properties of N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62331056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).