1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine

C28H37N3O2S — CID 138724047

IUPAC1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine
SMILESCCNCC[C@@H](Oc1ccccc1N1CCC(NC)(c2ccc(OC)cc2)CC1)c1cccs1
InChIInChI=1S/C28H37N3O2S/c1-4-30-18-15-26(27-10-7-21-34-27)33-25-9-6-5-8-24(25)31-19-16-28(29-2,17-20-31)22-11-13-23(32-3)14-12-22/h5-14,21,26,29-30H,4,15-20H2,1-3H3/t26-/m1/s1
InChIKeyHZDFVDWFPFBUTE-AREMUKBSSA-N
MW479.69 g/mol
LogP5.59
Rot. Bonds11

About 1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine

1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine (PubChem CID 138724047) has the molecular formula C28H37N3O2S and a molecular weight of 479.69 g/mol. Its IUPAC name is 1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine
PubChem CID138724047
Molecular FormulaC28H37N3O2S
Molecular Weight479.69 g/mol
Exact Mass479.26
IUPAC Name1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine
SMILESCCNCC[C@@H](Oc1ccccc1N1CCC(NC)(c2ccc(OC)cc2)CC1)c1cccs1
InChIInChI=1S/C28H37N3O2S/c1-4-30-18-15-26(27-10-7-21-34-27)33-25-9-6-5-8-24(25)31-19-16-28(29-2,17-20-31)22-11-13-23(32-3)14-12-22/h5-14,21,26,29-30H,4,15-20H2,1-3H3/t26-/m1/s1
InChIKeyHZDFVDWFPFBUTE-AREMUKBSSA-N
XLogP5.59
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.69
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[2-(2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 139527677
1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine
CID 139527786
1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 138723905
1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
CID 10623767
3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 146308662
1'-[2-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-6-ol
CID 139527778
(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
CID 135178793
N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 138738442
4-methoxy-N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 41144112
N-[(4-methoxyphenyl)methyl]-N'-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 20866521
[1-[[2-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-4-phenylpiperidin-4-yl]methanol
CID 146308829
N-methyl-3-[2-[2-(methylamino)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 138738146

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine (CID 138724047) is 1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine is CCNCC[C@@H](Oc1ccccc1N1CCC(NC)(c2ccc(OC)cc2)CC1)c1cccs1.
What is the InChIKey of 1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine?
The InChIKey is HZDFVDWFPFBUTE-AREMUKBSSA-N. The full InChI is InChI=1S/C28H37N3O2S/c1-4-30-18-15-26(27-10-7-21-34-27)33-25-9-6-5-8-24(25)31-19-16-28(29-2,17-20-31)22-11-13-23(32-3)14-12-22/h5-14,21,26,29-30H,4,15-20H2,1-3H3/t26-/m1/s1.
What are the key properties of 1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine?
1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine has a molecular weight of 479.69 g/mol, XLogP of 5.59, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 138724047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).