1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine

C20H22N2OS — CID 171294727

IUPAC1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine
SMILESCOc1ccc2ccccc2c1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C20H22N2OS/c1-23-17-9-8-15-5-2-3-6-16(15)19(17)20(18-7-4-14-24-18)22-12-10-21-11-13-22/h2-9,14,20-21H,10-13H2,1H3/t20-/m1/s1
InChIKeyXPTWYMBCAAEFMC-HXUWFJFHSA-N
MW338.48 g/mol
LogP3.90
Rot. Bonds4

About 1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine

1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine (PubChem CID 171294727) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine
PubChem CID171294727
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine
SMILESCOc1ccc2ccccc2c1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C20H22N2OS/c1-23-17-9-8-15-5-2-3-6-16(15)19(17)20(18-7-4-14-24-18)22-12-10-21-11-13-22/h2-9,14,20-21H,10-13H2,1H3/t20-/m1/s1
InChIKeyXPTWYMBCAAEFMC-HXUWFJFHSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171282087
3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171284135
1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171296575
1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171181458
(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanol
CID 708237
1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
CID 82263008
(R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
CID 171232570
(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
CID 171212951
1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
CID 171282098
3-hydroxy-4-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzonitrile
CID 171299136
1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171172510
(3R)-3-(2-methoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190221

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine (CID 171294727) is 1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine is COc1ccc2ccccc2c1[C@@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is XPTWYMBCAAEFMC-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-23-17-9-8-15-5-2-3-6-16(15)19(17)20(18-7-4-14-24-18)22-12-10-21-11-13-22/h2-9,14,20-21H,10-13H2,1H3/t20-/m1/s1.
What are the key properties of 1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine?
1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 338.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171294727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).