1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine

C29H39N3OS — CID 138723905

IUPAC1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
SMILESCCNCCC(Oc1ccccc1CN1CCC(c2ccccc2)(N(C)C)CC1)c1cccs1
InChIInChI=1S/C29H39N3OS/c1-4-30-19-16-27(28-15-10-22-34-28)33-26-14-9-8-11-24(26)23-32-20-17-29(18-21-32,31(2)3)25-12-6-5-7-13-25/h5-15,22,27,30H,4,16-21,23H2,1-3H3
InChIKeyZLETWGVOUCTBKE-UHFFFAOYSA-N
MW477.72 g/mol
LogP5.92
Rot. Bonds11

About 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine

1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine (PubChem CID 138723905) has the molecular formula C29H39N3OS and a molecular weight of 477.72 g/mol. Its IUPAC name is 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
PubChem CID138723905
Molecular FormulaC29H39N3OS
Molecular Weight477.72 g/mol
Exact Mass477.28
IUPAC Name1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
SMILESCCNCCC(Oc1ccccc1CN1CCC(c2ccccc2)(N(C)C)CC1)c1cccs1
InChIInChI=1S/C29H39N3OS/c1-4-30-19-16-27(28-15-10-22-34-28)33-26-14-9-8-11-24(26)23-32-20-17-29(18-21-32,31(2)3)25-12-6-5-7-13-25/h5-15,22,27,30H,4,16-21,23H2,1-3H3
InChIKeyZLETWGVOUCTBKE-UHFFFAOYSA-N
XLogP5.92
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.72
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine with MolForge

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Related Compounds

[1-[[2-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-4-phenylpiperidin-4-yl]methanol
CID 146308829
3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 146308662
[3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate
CID 138687799
N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 138738442
1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine
CID 138724047
N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 146309029
N-methyl-3-[2-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 146308767
N-methyl-3-[2-[2-(methylamino)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 138738146
N-methyl-3-[2-[2-(2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 139527680
N-[1-[2-[[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]anilino]methoxy]ethyl]piperidin-4-yl]-N-phenylpropanamide;molecular hydrogen
CID 153332312
(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
CID 135178793
4-ethyl-2,2-dimethyl-9-[2-[2-[(1R)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 139518653

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine?
The IUPAC name of 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine (CID 138723905) is 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine?
The canonical SMILES for 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine is CCNCCC(Oc1ccccc1CN1CCC(c2ccccc2)(N(C)C)CC1)c1cccs1.
What is the InChIKey of 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine?
The InChIKey is ZLETWGVOUCTBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3OS/c1-4-30-19-16-27(28-15-10-22-34-28)33-26-14-9-8-11-24(26)23-32-20-17-29(18-21-32,31(2)3)25-12-6-5-7-13-25/h5-15,22,27,30H,4,16-21,23H2,1-3H3.
What are the key properties of 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine?
1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine has a molecular weight of 477.72 g/mol, XLogP of 5.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine is sourced from PubChem (CID 138723905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).