N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

C18H30N2 — CID 62430874

IUPACN-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCC1CCN(Cc2cccc(CNC(C)C)c2)C(C)C1
InChIInChI=1S/C18H30N2/c1-14(2)19-12-17-6-5-7-18(11-17)13-20-9-8-15(3)10-16(20)4/h5-7,11,14-16,19H,8-10,12-13H2,1-4H3
InChIKeyAGALXVNCPIARNT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.81
Rot. Bonds5

About N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 62430874) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID62430874
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCC1CCN(Cc2cccc(CNC(C)C)c2)C(C)C1
InChIInChI=1S/C18H30N2/c1-14(2)19-12-17-6-5-7-18(11-17)13-20-9-8-15(3)10-16(20)4/h5-7,11,14-16,19H,8-10,12-13H2,1-4H3
InChIKeyAGALXVNCPIARNT-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62431577
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 83221641
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62431233
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 63980069
N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62930308
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62430351
3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76939940
N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62426943
4-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 62464715
[4-[(2,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888056
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine
CID 62411782

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 62430874) is N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is CC1CCN(Cc2cccc(CNC(C)C)c2)C(C)C1.
What is the InChIKey of N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is AGALXVNCPIARNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)19-12-17-6-5-7-18(11-17)13-20-9-8-15(3)10-16(20)4/h5-7,11,14-16,19H,8-10,12-13H2,1-4H3.
What are the key properties of N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62430874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).