3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine

C27H35N3O2S — CID 146308662

IUPAC3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(Oc1ccccc1CN1CCN(Cc2ccc(OC)cc2)CC1)c1cccs1
InChIInChI=1S/C27H35N3O2S/c1-28-14-13-26(27-8-5-19-33-27)32-25-7-4-3-6-23(25)21-30-17-15-29(16-18-30)20-22-9-11-24(31-2)12-10-22/h3-12,19,26,28H,13-18,20-21H2,1-2H3
InChIKeyZHTXKAFMEFFHSC-UHFFFAOYSA-N
MW465.66 g/mol
LogP4.80
Rot. Bonds11

About 3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine

3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 146308662) has the molecular formula C27H35N3O2S and a molecular weight of 465.66 g/mol. Its IUPAC name is 3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID146308662
Molecular FormulaC27H35N3O2S
Molecular Weight465.66 g/mol
Exact Mass465.24
IUPAC Name3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(Oc1ccccc1CN1CCN(Cc2ccc(OC)cc2)CC1)c1cccs1
InChIInChI=1S/C27H35N3O2S/c1-28-14-13-26(27-8-5-19-33-27)32-25-7-4-3-6-23(25)21-30-17-15-29(16-18-30)20-22-9-11-24(31-2)12-10-22/h3-12,19,26,28H,13-18,20-21H2,1-2H3
InChIKeyZHTXKAFMEFFHSC-UHFFFAOYSA-N
XLogP4.80
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 146309029
[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
3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 138560331
N-methyl-3-[2-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 146308767
1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 138723905
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
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
(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 146387264
3-(4-chloronaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 15015312
acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 146308662) is 3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine is CNCCC(Oc1ccccc1CN1CCN(Cc2ccc(OC)cc2)CC1)c1cccs1.
What is the InChIKey of 3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ZHTXKAFMEFFHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2S/c1-28-14-13-26(27-8-5-19-33-27)32-25-7-4-3-6-23(25)21-30-17-15-29(16-18-30)20-22-9-11-24(31-2)12-10-22/h3-12,19,26,28H,13-18,20-21H2,1-2H3.
What are the key properties of 3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine?
3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 465.66 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 146308662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).