3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine

C17H28N2 — CID 62329869

IUPAC3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCC1CCN(CC(C)(CN)c2ccccc2)C(C)C1
InChIInChI=1S/C17H28N2/c1-14-9-10-19(15(2)11-14)13-17(3,12-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13,18H2,1-3H3
InChIKeyGASOKBCMAYVASF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.02
Rot. Bonds4

About 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine

3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 62329869) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
PubChem CID62329869
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCC1CCN(CC(C)(CN)c2ccccc2)C(C)C1
InChIInChI=1S/C17H28N2/c1-14-9-10-19(15(2)11-14)13-17(3,12-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13,18H2,1-3H3
InChIKeyGASOKBCMAYVASF-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789630
3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
CID 62330903
3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol
CID 64788960
1-(3-amino-2-methyl-2-phenylpropyl)pyrrolidin-3-ol
CID 55131558
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051607
3-(3-ethylmorpholin-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051592
4-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692553
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62263045
3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62331854
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 103539187
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 62257885
2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol
CID 82685523

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine (CID 62329869) is 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine is CC1CCN(CC(C)(CN)c2ccccc2)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is GASOKBCMAYVASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-9-10-19(15(2)11-14)13-17(3,12-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13,18H2,1-3H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine?
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 62329869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).