N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine

C18H30N2O — CID 102967163

IUPACN-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
SMILESCCNC(CCN1CCC(C)C(OC)C1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-19-17(16-8-6-5-7-9-16)11-13-20-12-10-15(2)18(14-20)21-3/h5-9,15,17-19H,4,10-14H2,1-3H3
InChIKeyCUCUFTJOMZEQDK-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds7

About N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine

N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine (PubChem CID 102967163) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
PubChem CID102967163
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
SMILESCCNC(CCN1CCC(C)C(OC)C1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-19-17(16-8-6-5-7-9-16)11-13-20-12-10-15(2)18(14-20)21-3/h5-9,15,17-19H,4,10-14H2,1-3H3
InChIKeyCUCUFTJOMZEQDK-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
CID 63971237
N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102963478
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789593
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966955
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538970
3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol
CID 102967520
N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55098798
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
CID 62942655
1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966991
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine?
The IUPAC name of N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine (CID 102967163) is N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine is CCNC(CCN1CCC(C)C(OC)C1)c1ccccc1.
What is the InChIKey of N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine?
The InChIKey is CUCUFTJOMZEQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-17(16-8-6-5-7-9-16)11-13-20-12-10-15(2)18(14-20)21-3/h5-9,15,17-19H,4,10-14H2,1-3H3.
What are the key properties of N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine?
N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 102967163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).