2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine

C18H30N2 — CID 43685360

IUPAC2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine
SMILESCC(C)C(NC(C)C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-14(2)18(17-8-6-5-7-9-17)19-15(3)16-10-12-20(4)13-11-16/h5-9,14-16,18-19H,10-13H2,1-4H3
InChIKeyFUJCPGCPXYBGDD-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.70
Rot. Bonds5

About 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine

2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine (PubChem CID 43685360) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine
PubChem CID43685360
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine
SMILESCC(C)C(NC(C)C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-14(2)18(17-8-6-5-7-9-17)19-15(3)16-10-12-20(4)13-11-16/h5-9,14-16,18-19H,10-13H2,1-4H3
InChIKeyFUJCPGCPXYBGDD-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
CID 103784139
3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43711931
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685359
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
N-(1-cyclopropylethyl)-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 115677054
N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 54863063
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine
CID 54881034
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693312
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline
CID 43307621
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 81371064

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine (CID 43685360) is 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine is CC(C)C(NC(C)C1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine?
The InChIKey is FUJCPGCPXYBGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)18(17-8-6-5-7-9-17)19-15(3)16-10-12-20(4)13-11-16/h5-9,14-16,18-19H,10-13H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine?
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 43685360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).