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

C19H32N2 — CID 63494884

IUPAC3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)CN1CCC(C)CC1C
InChIInChI=1S/C19H32N2/c1-5-20-19(18-9-7-6-8-10-18)16(3)14-21-12-11-15(2)13-17(21)4/h6-10,15-17,19-20H,5,11-14H2,1-4H3
InChIKeyJMQXDXBSBRRLTJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.09
Rot. Bonds6

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

3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine (PubChem CID 63494884) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
PubChem CID63494884
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)CN1CCC(C)CC1C
InChIInChI=1S/C19H32N2/c1-5-20-19(18-9-7-6-8-10-18)16(3)14-21-12-11-15(2)13-17(21)4/h6-10,15-17,19-20H,5,11-14H2,1-4H3
InChIKeyJMQXDXBSBRRLTJ-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63469493
N-ethyl-3-(4-methoxypiperidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618390
3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997143
N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618034
1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
CID 62619132
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine
CID 62974242
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63493793
3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol
CID 64788960
(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
CID 130645010
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62331948

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine (CID 63494884) is 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine is CCNC(c1ccccc1)C(C)CN1CCC(C)CC1C.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine?
The InChIKey is JMQXDXBSBRRLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-20-19(18-9-7-6-8-10-18)16(3)14-21-12-11-15(2)13-17(21)4/h6-10,15-17,19-20H,5,11-14H2,1-4H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine?
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.09, 6 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)-N-ethyl-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 63494884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).