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

C20H28N2OS — CID 137371830

IUPAC(3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc(C2CCN(C)CC2)c1)c1cccs1
InChIInChI=1S/C20H28N2OS/c1-21-11-8-19(20-7-4-14-24-20)23-18-6-3-5-17(15-18)16-9-12-22(2)13-10-16/h3-7,14-16,19,21H,8-13H2,1-2H3/t19-/m1/s1
InChIKeyLSKXMOULVRIZNI-LJQANCHMSA-N
MW344.52 g/mol
LogP4.29
Rot. Bonds7

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

(3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine (PubChem CID 137371830) has the molecular formula C20H28N2OS and a molecular weight of 344.52 g/mol. Its IUPAC name is (3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine
PubChem CID137371830
Molecular FormulaC20H28N2OS
Molecular Weight344.52 g/mol
Exact Mass344.19
IUPAC Name(3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc(C2CCN(C)CC2)c1)c1cccs1
InChIInChI=1S/C20H28N2OS/c1-21-11-8-19(20-7-4-14-24-20)23-18-6-3-5-17(15-18)16-9-12-22(2)13-10-16/h3-7,14-16,19,21H,8-13H2,1-2H3/t19-/m1/s1
InChIKeyLSKXMOULVRIZNI-LJQANCHMSA-N
XLogP4.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol
CID 138560347
4-[[2-fluoro-4-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-1-methyl-1,4-diazepan-5-one
CID 142566937
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-(4-methylpiperazin-1-yl)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 146309029
3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 138560331
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 146387264
1,8-dimethyl-4-[3-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one
CID 142566951
1-methyl-4-[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one;sulfane
CID 158366843
2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol
CID 90229934
N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-thiophen-2-ylpropan-1-amine
CID 142566891
3-[3-(2-methoxypyrimidin-4-yl)phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 137372262

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine (CID 137371830) is (3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine is CNCC[C@@H](Oc1cccc(C2CCN(C)CC2)c1)c1cccs1.
What is the InChIKey of (3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
The InChIKey is LSKXMOULVRIZNI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N2OS/c1-21-11-8-19(20-7-4-14-24-20)23-18-6-3-5-17(15-18)16-9-12-22(2)13-10-16/h3-7,14-16,19,21H,8-13H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
(3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine has a molecular weight of 344.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 137371830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).